[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone

C14H20N2O2 — CID 79549270

IUPAC[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(O)CC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10-11,13,17H,2-3,6,8-9H2,1H3
InChIKeyRKHSECXLTYUFBR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.85
Rot. Bonds3

About [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone

[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 79549270) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID79549270
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(O)CC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10-11,13,17H,2-3,6,8-9H2,1H3
InChIKeyRKHSECXLTYUFBR-UHFFFAOYSA-N
XLogP1.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79538087
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 79549270) is [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone is CC(O)CC1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RKHSECXLTYUFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10-11,13,17H,2-3,6,8-9H2,1H3.
What are the key properties of [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 79549270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).