(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine

C16H28N4 — CID 30726777

IUPAC(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
SMILESc1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)[nH]1
InChIInChI=1S/C16H28N4/c1-2-5-14(6-3-1)11-20-8-4-7-15(12-20)18-10-16-9-17-13-19-16/h9,13-15,18H,1-8,10-12H2,(H,17,19)/t15-/m0/s1
InChIKeyPHWOIBWHLNICRZ-HNNXBMFYSA-N
MW276.43 g/mol
LogP2.54
Rot. Bonds5

About (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine

(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine (PubChem CID 30726777) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
PubChem CID30726777
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine
SMILESc1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)[nH]1
InChIInChI=1S/C16H28N4/c1-2-5-14(6-3-1)11-20-8-4-7-15(12-20)18-10-16-9-17-13-19-16/h9,13-15,18H,1-8,10-12H2,(H,17,19)/t15-/m0/s1
InChIKeyPHWOIBWHLNICRZ-HNNXBMFYSA-N
XLogP2.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555
N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
CID 115616302
(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 51635194
5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
CID 64655747
(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
CID 129398362
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
CID 130804951
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine (CID 30726777) is (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine is c1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)[nH]1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine?
The InChIKey is PHWOIBWHLNICRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-5-14(6-3-1)11-20-8-4-7-15(12-20)18-10-16-9-17-13-19-16/h9,13-15,18H,1-8,10-12H2,(H,17,19)/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine?
(3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-(1H-imidazol-5-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 30726777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).