1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol

C16H27N3O2 — CID 56901576

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c20-12-16(21)7-4-8-18(11-16)10-15-9-17-13-19(15)14-5-2-1-3-6-14/h9,13-14,20-21H,1-8,10-12H2
InChIKeyZVGDJIYUDWRLCJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.71
Rot. Bonds4

About 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol

1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 56901576) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID56901576
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2cncn2C2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c20-12-16(21)7-4-8-18(11-16)10-15-9-17-13-19(15)14-5-2-1-3-6-14/h9,13-14,20-21H,1-8,10-12H2
InChIKeyZVGDJIYUDWRLCJ-UHFFFAOYSA-N
XLogP1.71
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S*,4R*)-1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72855191
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
CID 25804619
1-[(3-Methylimidazol-4-yl)methyl]piperidin-3-ol
CID 43817896
4-(hydroxymethyl)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-azepanol
CID 56901369
3-[(dimethylamino)methyl]-1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinol
CID 56907221
[1-[(3-Methylimidazol-4-yl)methyl]piperidin-2-yl]methanol
CID 66141765
[1-[(3-Methylimidazol-4-yl)methyl]piperidin-3-yl]methanol
CID 66141766
2-[1-[(3-Methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 66141774
2-[1-[(3-Cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 66146552
2-[1-[(3-Propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 66153041

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol (CID 56901576) is 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol is OCC1(O)CCCN(Cc2cncn2C2CCCCC2)C1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is ZVGDJIYUDWRLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-12-16(21)7-4-8-18(11-16)10-15-9-17-13-19(15)14-5-2-1-3-6-14/h9,13-14,20-21H,1-8,10-12H2.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56901576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).