[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol

C25H30N2O — CID 45196346

IUPAC[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H30N2O/c28-20-25(15-6-10-21-8-2-1-3-9-21)16-7-17-27(19-25)18-23-14-13-22-11-4-5-12-24(22)26-23/h1-5,8-9,11-14,28H,6-7,10,15-20H2
InChIKeyNLEMNINLQDDGRF-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.83
Rot. Bonds7

About [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol

[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 45196346) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID45196346
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H30N2O/c28-20-25(15-6-10-21-8-2-1-3-9-21)16-7-17-27(19-25)18-23-14-13-22-11-4-5-12-24(22)26-23/h1-5,8-9,11-14,28H,6-7,10,15-20H2
InChIKeyNLEMNINLQDDGRF-UHFFFAOYSA-N
XLogP4.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
[(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
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42095166
[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
CID 25275868
[(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
2-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56757377
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
4-[4-[[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45175998
N-[2-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45176927
1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 45201155

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol (CID 45196346) is [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol is OCC1(CCCc2ccccc2)CCCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is NLEMNINLQDDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-20-25(15-6-10-21-8-2-1-3-9-21)16-7-17-27(19-25)18-23-14-13-22-11-4-5-12-24(22)26-23/h1-5,8-9,11-14,28H,6-7,10,15-20H2.
What are the key properties of [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol?
[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 374.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).