4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

C18H31N3O — CID 97101326

IUPAC4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCC[C@H](Cc3nccn3C)C2)CC1
InChIInChI=1S/C18H31N3O/c1-15-5-7-18(22,8-6-15)14-21-10-3-4-16(13-21)12-17-19-9-11-20(17)2/h9,11,15-16,22H,3-8,10,12-14H2,1-2H3/t15?,16-,18?/m1/s1
InChIKeyHLWHCMCFGSMDHZ-UPTPFMHGSA-N
MW305.47 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 97101326) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID97101326
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCC[C@H](Cc3nccn3C)C2)CC1
InChIInChI=1S/C18H31N3O/c1-15-5-7-18(22,8-6-15)14-21-10-3-4-16(13-21)12-17-19-9-11-20(17)2/h9,11,15-16,22H,3-8,10,12-14H2,1-2H3/t15?,16-,18?/m1/s1
InChIKeyHLWHCMCFGSMDHZ-UPTPFMHGSA-N
XLogP2.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 95284674
1-(2,6-dimethylmorpholin-4-yl)-2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 86771068
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 100904592
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
1-ethyl-4-[(1-methylimidazol-2-yl)methyl]azepan-4-ol
CID 79743883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 97101326) is 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is CC1CCC(O)(CN2CCC[C@H](Cc3nccn3C)C2)CC1.
What is the InChIKey of 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is HLWHCMCFGSMDHZ-UPTPFMHGSA-N. The full InChI is InChI=1S/C18H31N3O/c1-15-5-7-18(22,8-6-15)14-21-10-3-4-16(13-21)12-17-19-9-11-20(17)2/h9,11,15-16,22H,3-8,10,12-14H2,1-2H3/t15?,16-,18?/m1/s1.
What are the key properties of 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 305.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 97101326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).