(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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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).