[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol

C20H29N3O — CID 45203607

IUPAC[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C20H29N3O/c1-22-14-12-21-19(22)15-23-13-6-11-20(16-23,17-24)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,12,14,24H,5-6,9-11,13,15-17H2,1H3
InChIKeyYEMUPSHBMZJTDR-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.02
Rot. Bonds7

About [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 45203607) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID45203607
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESCn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C20H29N3O/c1-22-14-12-21-19(22)15-23-13-6-11-20(16-23,17-24)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,12,14,24H,5-6,9-11,13,15-17H2,1H3
InChIKeyYEMUPSHBMZJTDR-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
CID 45196346
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26404101
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56759598
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 45203607) is [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol is Cn1ccnc1CN1CCCC(CO)(CCCc2ccccc2)C1.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is YEMUPSHBMZJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-22-14-12-21-19(22)15-23-13-6-11-20(16-23,17-24)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,12,14,24H,5-6,9-11,13,15-17H2,1H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 327.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45203607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).