cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine

C19H30N2 — CID 131851979

IUPACcis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15,20H2/t18-,19+/m0/s1
InChIKeyNGFXEEYLKWXBCH-RBUKOAKNSA-N
MW286.46 g/mol
LogP3.46
Rot. Bonds4

About cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine

cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 131851979) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID131851979
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Namecis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15,20H2/t18-,19+/m0/s1
InChIKeyNGFXEEYLKWXBCH-RBUKOAKNSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62610935
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
2-[(4-benzylpiperidin-1-yl)methyl]cyclopentan-1-ol
CID 62610936
2-[(4-benzylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 62616072
CID 162338619
CID 162338619
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
CID 15329907
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
CID 123232157

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 131851979) is cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is NGFXEEYLKWXBCH-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H30N2/c20-19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-3,6-7,17-19H,4-5,8-15,20H2/t18-,19+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 131851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).