(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol

C18H25N3O — CID 72869391

IUPAC(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2nccn2Cc2ccccc2)CC[C@]1(C)O
InChIInChI=1S/C18H25N3O/c1-15-12-20(10-8-18(15,2)22)14-17-19-9-11-21(17)13-16-6-4-3-5-7-16/h3-7,9,11,15,22H,8,10,12-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyQCHRPMSNVPRCJI-QAPCUYQASA-N
MW299.42 g/mol
LogP2.52
Rot. Bonds4

About (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol (PubChem CID 72869391) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
PubChem CID72869391
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2nccn2Cc2ccccc2)CC[C@]1(C)O
InChIInChI=1S/C18H25N3O/c1-15-12-20(10-8-18(15,2)22)14-17-19-9-11-21(17)13-16-6-4-3-5-7-16/h3-7,9,11,15,22H,8,10,12-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyQCHRPMSNVPRCJI-QAPCUYQASA-N
XLogP2.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
(6R)-1-[(1-benzylimidazol-2-yl)methyl]-4-(3-hydroxypropyl)-1,4-diazepan-6-ol
CID 100599963
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124741311
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-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-[(1-benzylimidazol-2-yl)methyl]-5,5-dimethylpyrrolidine-3-sulfonamide
CID 166315063

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol (CID 72869391) is (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol is C[C@@H]1CN(Cc2nccn2Cc2ccccc2)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is QCHRPMSNVPRCJI-QAPCUYQASA-N. The full InChI is InChI=1S/C18H25N3O/c1-15-12-20(10-8-18(15,2)22)14-17-19-9-11-21(17)13-16-6-4-3-5-7-16/h3-7,9,11,15,22H,8,10,12-14H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 299.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).