[1-(cyclohexylmethyl)piperidin-4-yl]methanamine

C13H26N2 — CID 11310349

IUPAC[1-(cyclohexylmethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h12-13H,1-11,14H2
InChIKeyBVSQSPAHHLJKMD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.24
Rot. Bonds3

About [1-(cyclohexylmethyl)piperidin-4-yl]methanamine

[1-(cyclohexylmethyl)piperidin-4-yl]methanamine (PubChem CID 11310349) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)piperidin-4-yl]methanamine
PubChem CID11310349
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[1-(cyclohexylmethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h12-13H,1-11,14H2
InChIKeyBVSQSPAHHLJKMD-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]methanamine (CID 11310349) is [1-(cyclohexylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(cyclohexylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(cyclohexylmethyl)piperidin-4-yl]methanamine is NCC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexylmethyl)piperidin-4-yl]methanamine?
The InChIKey is BVSQSPAHHLJKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h12-13H,1-11,14H2.
What are the key properties of [1-(cyclohexylmethyl)piperidin-4-yl]methanamine?
[1-(cyclohexylmethyl)piperidin-4-yl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 11310349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).