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Chemical ID: 4942574

Chemical ID:

4942574

Name [?]:

4-ethyl-1-methyl-2,6-diphenyl-piperidin-4-ol

SMILES [?]:

CCC1(CC(N(C(C1)c2ccccc2)C)c3ccccc3)O

InChi [?]:

InChI=1/C20H25NO/c1-3-20(22)14-18(16-10-6-4-7-11-16)21(2)19(15-20)17-12-8-5-9-13-17/h4-13,18-19,22H,3,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,15,2,12,19,11,13,18,20,10,14,17,21,8,4,9,16,7,5,3,6,22/E:(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)/rA:22cCCCCCNCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;d10;s11;d12;d9s13;s6;s5;s16;d17;s18;d19;d16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	9.69608
Area:	471.315
Solvation:	-2.0868
Coulombic:	-25.6776

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	295.419
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.3
LogP (Chemaxon):	3.95

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