(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine

C15H26N4 — CID 128875739

IUPAC(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine
SMILESc1c[nH]c(C(N[C@H]2CCCNC2)C2CCCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-5-12(6-3-1)14(15-17-9-10-18-15)19-13-7-4-8-16-11-13/h9-10,12-14,16,19H,1-8,11H2,(H,17,18)/t13-,14?/m0/s1
InChIKeyAUDSNYFNCNMTGV-LSLKUGRBSA-N
MW262.40 g/mol
LogP2.37
Rot. Bonds4

About (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine

(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine (PubChem CID 128875739) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine
PubChem CID128875739
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine
SMILESc1c[nH]c(C(N[C@H]2CCCNC2)C2CCCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-5-12(6-3-1)14(15-17-9-10-18-15)19-13-7-4-8-16-11-13/h9-10,12-14,16,19H,1-8,11H2,(H,17,18)/t13-,14?/m0/s1
InChIKeyAUDSNYFNCNMTGV-LSLKUGRBSA-N
XLogP2.37
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
3-(1H-imidazol-2-yl)piperidine
CID 13281195
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
CID 164555639
(3R)-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-amine
CID 97162191
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
N-cycloheptylazepan-3-amine
CID 82934093

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine (CID 128875739) is (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine is c1c[nH]c(C(N[C@H]2CCCNC2)C2CCCCC2)n1.
What is the InChIKey of (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is AUDSNYFNCNMTGV-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-5-12(6-3-1)14(15-17-9-10-18-15)19-13-7-4-8-16-11-13/h9-10,12-14,16,19H,1-8,11H2,(H,17,18)/t13-,14?/m0/s1.
What are the key properties of (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine?
(3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[cyclohexyl(1H-imidazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 128875739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).