1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine

C13H26N2 — CID 115074068

IUPAC1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
SMILESCN1CCC(CC2(N)CCCCC2)CC1
InChIInChI=1S/C13H26N2/c1-15-9-5-12(6-10-15)11-13(14)7-3-2-4-8-13/h12H,2-11,14H2,1H3
InChIKeyPQMRVWSBASCKMV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds2

About 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine

1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 115074068) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID115074068
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
SMILESCN1CCC(CC2(N)CCCCC2)CC1
InChIInChI=1S/C13H26N2/c1-15-9-5-12(6-10-15)11-13(14)7-3-2-4-8-13/h12H,2-11,14H2,1H3
InChIKeyPQMRVWSBASCKMV-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 115074013
3-(cyclobutylmethyl)-1-methylpiperidin-3-amine
CID 84658746
N-[(1-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 28598778
1-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]cyclopentan-1-amine
CID 64681854
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
tert-butyl 3-[(1-aminocyclohexyl)methyl]pyrrolidine-1-carboxylate
CID 115071806
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
1-[(1-ethylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 115073929
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine (CID 115074068) is 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine is CN1CCC(CC2(N)CCCCC2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is PQMRVWSBASCKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-15-9-5-12(6-10-15)11-13(14)7-3-2-4-8-13/h12H,2-11,14H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine?
1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115074068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).