[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol

C20H33N3O — CID 70717544

IUPAC[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C20H33N3O/c24-15-20(11-17-7-8-17)9-4-10-22(14-20)13-19-12-21-16-23(19)18-5-2-1-3-6-18/h12,16-18,24H,1-11,13-15H2
InChIKeyDIKZIKNVXAATJE-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.76
Rot. Bonds6

About [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol

[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol (PubChem CID 70717544) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
PubChem CID70717544
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C20H33N3O/c24-15-20(11-17-7-8-17)9-4-10-22(14-20)13-19-12-21-16-23(19)18-5-2-1-3-6-18/h12,16-18,24H,1-11,13-15H2
InChIKeyDIKZIKNVXAATJE-UHFFFAOYSA-N
XLogP3.76
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methyl-1H-imidazol-5-yl)methyl]-9-(tetrahydro-2H-pyran-4-yl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74245860
[(2S,3S)-1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)piperidin-3-yl]methanol
CID 122155525
[1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)piperidin-3-yl]methanol
CID 138112830
Rac-[(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-imidazol-5-yl)piperidin-3-yl]methanol
CID 178199919
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
2-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 25804613
2-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 25804615
2-[1-[(3-Ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 43817894
2-[1-[(3-Methylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 43817897
1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3-(hydroxymethyl)-3-piperidinol
CID 56901576
[2-[[(3-Cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 66140605
2-[[(3-Cyclopropylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 66141203

Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol (CID 70717544) is [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol is OCC1(CC2CC2)CCCN(Cc2cncn2C2CCCCC2)C1.
What is the InChIKey of [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
The InChIKey is DIKZIKNVXAATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c24-15-20(11-17-7-8-17)9-4-10-22(14-20)13-19-12-21-16-23(19)18-5-2-1-3-6-18/h12,16-18,24H,1-11,13-15H2.
What are the key properties of [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol?
[1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol has a molecular weight of 331.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 70717544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).