3,4-di(cyclooctyl)piperidine

C21H39N — CID 54064226

IUPAC3,4-di(cyclooctyl)piperidine
SMILESC1CCCC(C2CCNCC2C2CCCCCCC2)CCC1
InChIInChI=1S/C21H39N/c1-3-7-11-18(12-8-4-1)20-15-16-22-17-21(20)19-13-9-5-2-6-10-14-19/h18-22H,1-17H2
InChIKeyHBGMACOJCFBOSY-UHFFFAOYSA-N
MW305.55 g/mol
LogP5.93
Rot. Bonds2

About 3,4-di(cyclooctyl)piperidine

3,4-di(cyclooctyl)piperidine (PubChem CID 54064226) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 3,4-di(cyclooctyl)piperidine.

Molecular Properties

Compound Name3,4-di(cyclooctyl)piperidine
PubChem CID54064226
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name3,4-di(cyclooctyl)piperidine
SMILESC1CCCC(C2CCNCC2C2CCCCCCC2)CCC1
InChIInChI=1S/C21H39N/c1-3-7-11-18(12-8-4-1)20-15-16-22-17-21(20)19-13-9-5-2-6-10-14-19/h18-22H,1-17H2
InChIKeyHBGMACOJCFBOSY-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
CID 104576151
3-cyclohexyl-4-methylpiperidine
CID 84718579
4-cyclohexyl-3-methylpiperidine
CID 79320400
4-cyclopentylpiperidin-3-amine
CID 84765487
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
3-cyclohexylpiperidine-4-carboxamide
CID 174458601
2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine
CID 146587440
4-tert-butyl-3-cyclopentylpiperidine
CID 112570800
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
(3S)-3-cyclohexylpiperidine
CID 7016473

Frequently Asked Questions

What is the IUPAC name of 3,4-di(cyclooctyl)piperidine?
The IUPAC name of 3,4-di(cyclooctyl)piperidine (CID 54064226) is 3,4-di(cyclooctyl)piperidine.
What is the SMILES notation for 3,4-di(cyclooctyl)piperidine?
The canonical SMILES for 3,4-di(cyclooctyl)piperidine is C1CCCC(C2CCNCC2C2CCCCCCC2)CCC1.
What is the InChIKey of 3,4-di(cyclooctyl)piperidine?
The InChIKey is HBGMACOJCFBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-3-7-11-18(12-8-4-1)20-15-16-22-17-21(20)19-13-9-5-2-6-10-14-19/h18-22H,1-17H2.
What are the key properties of 3,4-di(cyclooctyl)piperidine?
3,4-di(cyclooctyl)piperidine has a molecular weight of 305.55 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(cyclooctyl)piperidine is sourced from PubChem (CID 54064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).