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Chemical ID: 5620936

Chemical ID:

5620936

Name [?]:

1-(1-adamantyl)-2-(1-piperidyl)propan-1-ol

SMILES [?]:

CC(C(C12CC3CC(C1)CC(C3)C2)O)N4CCCCC4

InChi [?]:

InChI=1/C18H31NO/c1-13(19-5-3-2-4-6-19)17(20)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,20H,2-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,17,19,16,20,7,10,12,9,5,13,2,8,6,11,3,4,15,14/E:(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)/rA:20cCCCCCCCCCCCCCONCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s3;s2;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₃₁NO
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	8.8564
Area:	436.71
Solvation:	-2.06134
Coulombic:	-23.4653

Bond Count [?]

All:	23
Single:	23
Double:	0
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	277.445
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.4
LogP (Chemaxon):	3.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value