(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine

C16H27N3 — CID 96578497

IUPAC(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H27N3/c1-18-11-9-17-16(18)15-8-5-10-19(13-15)12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyXXKFVSLAQMJUQF-HNNXBMFYSA-N
MW261.41 g/mol
LogP3.18
Rot. Bonds3

About (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine

(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 96578497) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
PubChem CID96578497
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C16H27N3/c1-18-11-9-17-16(18)15-8-5-10-19(13-15)12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3/t15-/m0/s1
InChIKeyXXKFVSLAQMJUQF-HNNXBMFYSA-N
XLogP3.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484
2-cyclopentyl-1-methylimidazole
CID 83382106
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120904826
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine (CID 96578497) is (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine is Cn1ccnc1[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is XXKFVSLAQMJUQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18-11-9-17-16(18)15-8-5-10-19(13-15)12-14-6-3-2-4-7-14/h9,11,14-15H,2-8,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine?
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 96578497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).