1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol

C16H21N3O — CID 110887635

IUPAC1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c20-15-6-9-18(10-7-15)13-16-17-8-11-19(16)12-14-4-2-1-3-5-14/h1-5,8,11,15,20H,6-7,9-10,12-13H2
InChIKeyCHGKMMVHIISKDV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.89
Rot. Bonds4

About 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol

1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 110887635) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID110887635
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c20-15-6-9-18(10-7-15)13-16-17-8-11-19(16)12-14-4-2-1-3-5-14/h1-5,8,11,15,20H,6-7,9-10,12-13H2
InChIKeyCHGKMMVHIISKDV-UHFFFAOYSA-N
XLogP1.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-1-[(1-benzylimidazol-2-yl)methyl]-4-(3-hydroxypropyl)-1,4-diazepan-6-ol
CID 100599963
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 91830071
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol (CID 110887635) is 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol is OC1CCN(Cc2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is CHGKMMVHIISKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15-6-9-18(10-7-15)13-16-17-8-11-19(16)12-14-4-2-1-3-5-14/h1-5,8,11,15,20H,6-7,9-10,12-13H2.
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol?
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 271.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 110887635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).