1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol

C17H30N4O — CID 95284674

IUPAC1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESC[C@H]1CN(CC2(O)CCCCC2)CCN1Cc1nccn1C
InChIInChI=1S/C17H30N4O/c1-15-12-20(14-17(22)6-4-3-5-7-17)10-11-21(15)13-16-18-8-9-19(16)2/h8-9,15,22H,3-7,10-14H2,1-2H3/t15-/m0/s1
InChIKeyNNPQIKUAMFHKHN-HNNXBMFYSA-N
MW306.45 g/mol
LogP1.62
Rot. Bonds4

About 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol

1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95284674) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95284674
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESC[C@H]1CN(CC2(O)CCCCC2)CCN1Cc1nccn1C
InChIInChI=1S/C17H30N4O/c1-15-12-20(14-17(22)6-4-3-5-7-17)10-11-21(15)13-16-18-8-9-19(16)2/h8-9,15,22H,3-7,10-14H2,1-2H3/t15-/m0/s1
InChIKeyNNPQIKUAMFHKHN-HNNXBMFYSA-N
XLogP1.62
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
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(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol (CID 95284674) is 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol is C[C@H]1CN(CC2(O)CCCCC2)CCN1Cc1nccn1C.
What is the InChIKey of 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is NNPQIKUAMFHKHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-15-12-20(14-17(22)6-4-3-5-7-17)10-11-21(15)13-16-18-8-9-19(16)2/h8-9,15,22H,3-7,10-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95284674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).