[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol

C19H27N3O — CID 70756981

IUPAC[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(Cc2nccn2Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O/c1-2-19(16-23)9-6-11-21(15-19)14-18-20-10-12-22(18)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,23H,2,6,9,11,13-16H2,1H3
InChIKeyWFBHNXNAGZXVSJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.92
Rot. Bonds6

About [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol

[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 70756981) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
PubChem CID70756981
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(Cc2nccn2Cc2ccccc2)C1
InChIInChI=1S/C19H27N3O/c1-2-19(16-23)9-6-11-21(15-19)14-18-20-10-12-22(18)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,23H,2,6,9,11,13-16H2,1H3
InChIKeyWFBHNXNAGZXVSJ-UHFFFAOYSA-N
XLogP2.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
(3R,4S)-1-[(1-benzylimidazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869391
2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
ethyl (3S)-3-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carboxylate
CID 26411319
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 132776861
[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91791648
[3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
CID 45193972
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
CID 42291689

Frequently Asked Questions

What is the IUPAC name of [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol (CID 70756981) is [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol is CCC1(CO)CCCN(Cc2nccn2Cc2ccccc2)C1.
What is the InChIKey of [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is WFBHNXNAGZXVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-19(16-23)9-6-11-21(15-19)14-18-20-10-12-22(18)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,23H,2,6,9,11,13-16H2,1H3.
What are the key properties of [1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol?
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 313.44 g/mol, XLogP of 2.92, 6 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]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 70756981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).