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Chemical ID: 4412196

Chemical ID:

4412196

Name [?]:

phenyl-[4-[3-(1-piperidyl)propoxy]phenyl]-methanone

SMILES [?]:

c1ccc(cc1)C(=O)c2ccc(cc2)OCCCN3CCCCC3

InChi [?]:

InChI=1/C21H25NO2/c23-21(18-8-3-1-4-9-18)19-10-12-20(13-11-19)24-17-7-16-22-14-5-2-6-15-22/h1,3-4,8-13H,2,5-7,14-17H2

InChi Info:

AuxInfo=1/0/N:1,22,2,6,21,23,17,3,5,10,14,11,13,20,24,18,16,4,9,12,7,19,8,15/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:24nCCCCCCCOCCCCCCOCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7147
Area:	561.987
Solvation:	-3.33501
Coulombic:	-23.7052

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	323.429
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.57
LogP (Chemaxon):	3.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value