1,3-bis(cyclohexylmethyl)piperidine

C19H35N — CID 163123871

IUPAC1,3-bis(cyclohexylmethyl)piperidine
SMILESC1CCC(CC2CCCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C19H35N/c1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18/h17-19H,1-16H2
InChIKeyNZTJOTBUMSZPNI-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.25
Rot. Bonds4

About 1,3-bis(cyclohexylmethyl)piperidine

1,3-bis(cyclohexylmethyl)piperidine (PubChem CID 163123871) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1,3-bis(cyclohexylmethyl)piperidine.

Molecular Properties

Compound Name1,3-bis(cyclohexylmethyl)piperidine
PubChem CID163123871
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1,3-bis(cyclohexylmethyl)piperidine
SMILESC1CCC(CC2CCCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C19H35N/c1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18/h17-19H,1-16H2
InChIKeyNZTJOTBUMSZPNI-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
cyclopentadecylmethylcyclopentadecane
CID 91804599
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclohexylmethyl)piperidine?
The IUPAC name of 1,3-bis(cyclohexylmethyl)piperidine (CID 163123871) is 1,3-bis(cyclohexylmethyl)piperidine.
What is the SMILES notation for 1,3-bis(cyclohexylmethyl)piperidine?
The canonical SMILES for 1,3-bis(cyclohexylmethyl)piperidine is C1CCC(CC2CCCN(CC3CCCCC3)C2)CC1.
What is the InChIKey of 1,3-bis(cyclohexylmethyl)piperidine?
The InChIKey is NZTJOTBUMSZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-8-17(9-4-1)14-19-12-7-13-20(16-19)15-18-10-5-2-6-11-18/h17-19H,1-16H2.
What are the key properties of 1,3-bis(cyclohexylmethyl)piperidine?
1,3-bis(cyclohexylmethyl)piperidine has a molecular weight of 277.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclohexylmethyl)piperidine is sourced from PubChem (CID 163123871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).