1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol

C15H24N2O — CID 134435119

IUPAC1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESCCC(C)N1CCC(O)(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N2O/c1-3-13(2)17-9-6-15(18,7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13,18H,3,6-7,9-11H2,1-2H3
InChIKeyYGMSGRGEFMHDRC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds4

About 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol

1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol (PubChem CID 134435119) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
PubChem CID134435119
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESCCC(C)N1CCC(O)(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N2O/c1-3-13(2)17-9-6-15(18,7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13,18H,3,6-7,9-11H2,1-2H3
InChIKeyYGMSGRGEFMHDRC-UHFFFAOYSA-N
XLogP2.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol
CID 104735822
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160047
ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 31134180
ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
CID 45232556
4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 166219449
ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 42516933
3-(pyridin-3-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959402
2-(4-benzyl-4-hydroxypiperidin-1-yl)-1-[4-tri(propan-2-yl)silyloxyphenyl]butan-1-one
CID 10413970

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol (CID 134435119) is 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol is CCC(C)N1CCC(O)(Cc2cccnc2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol?
The InChIKey is YGMSGRGEFMHDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13(2)17-9-6-15(18,7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13,18H,3,6-7,9-11H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol?
1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 134435119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).