[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C13H19N3O2 — CID 81443198

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccncc1O
InChIInChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,2-4,7,14H2,1H3
InChIKeyHVHLDTPBHCWDEE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.13
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81443198) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81443198
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccncc1O
InChIInChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,2-4,7,14H2,1H3
InChIKeyHVHLDTPBHCWDEE-UHFFFAOYSA-N
XLogP1.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[(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
1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carbothioamide
CID 81445580
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81443198) is [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is CC(N)C1CCCCN1C(=O)c1ccncc1O.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is HVHLDTPBHCWDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(14)11-4-2-3-7-16(11)13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,2-4,7,14H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81443198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).