(3-piperidin-4-ylcyclohexyl)methanamine

C12H24N2 — CID 83404023

IUPAC(3-piperidin-4-ylcyclohexyl)methanamine
SMILESNCC1CCCC(C2CCNCC2)C1
InChIInChI=1S/C12H24N2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h10-12,14H,1-9,13H2
InChIKeyCIMPPVAOPVASHY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.75
Rot. Bonds2

About (3-piperidin-4-ylcyclohexyl)methanamine

(3-piperidin-4-ylcyclohexyl)methanamine (PubChem CID 83404023) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3-piperidin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-piperidin-4-ylcyclohexyl)methanamine
PubChem CID83404023
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3-piperidin-4-ylcyclohexyl)methanamine
SMILESNCC1CCCC(C2CCNCC2)C1
InChIInChI=1S/C12H24N2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h10-12,14H,1-9,13H2
InChIKeyCIMPPVAOPVASHY-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclohexylcyclopentyl)methanamine
CID 83636273
3-bicyclo[4.2.0]octanylmethanamine
CID 131991304
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
4-(3-chlorocyclohexyl)piperidine
CID 118408989
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
[(1R,3R,6S)-3-bicyclo[4.1.0]heptanyl]methanamine
CID 124658554
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
5-cyclohexyl-3-ethylazepane
CID 22627824
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
(3-methylcyclohexyl)methanamine
CID 18361468
iron(5+);piperidin-4-ylmethanamine;pentacyanide
CID 88790374
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
CID 140644306

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-ylcyclohexyl)methanamine?
The IUPAC name of (3-piperidin-4-ylcyclohexyl)methanamine (CID 83404023) is (3-piperidin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (3-piperidin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (3-piperidin-4-ylcyclohexyl)methanamine is NCC1CCCC(C2CCNCC2)C1.
What is the InChIKey of (3-piperidin-4-ylcyclohexyl)methanamine?
The InChIKey is CIMPPVAOPVASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h10-12,14H,1-9,13H2.
What are the key properties of (3-piperidin-4-ylcyclohexyl)methanamine?
(3-piperidin-4-ylcyclohexyl)methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 83404023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).