[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

C22H30N2O — CID 42095166

IUPAC[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1cccc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C22H30N2O/c1-19-7-5-11-21(23-19)17-24-15-13-22(18-25,14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,25H,6,10,12-18H2,1H3
InChIKeyKARVQLDHMGWDMX-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.99
Rot. Bonds7

About [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 42095166) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID42095166
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1cccc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C22H30N2O/c1-19-7-5-11-21(23-19)17-24-15-13-22(18-25,14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,25H,6,10,12-18H2,1H3
InChIKeyKARVQLDHMGWDMX-UHFFFAOYSA-N
XLogP3.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 42513645
2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]-5-methoxyphenol
CID 42288726
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
CID 45196346
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 46982833
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124966320
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
N'-hydroxy-4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107161936
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 42095166) is [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is Cc1cccc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1.
What is the InChIKey of [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is KARVQLDHMGWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-19-7-5-11-21(23-19)17-24-15-13-22(18-25,14-16-24)12-6-10-20-8-3-2-4-9-20/h2-5,7-9,11,25H,6,10,12-18H2,1H3.
What are the key properties of [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 338.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methyl-2-pyridinyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 42095166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).