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

C13H17ClN2O2 — CID 81443059

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCCCC1CCCl
InChIInChI=1S/C13H17ClN2O2/c14-6-4-10-3-1-2-8-16(10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2
InChIKeyDGPLYUYJZOZUAL-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.41
Rot. Bonds3

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

[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 81443059) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID81443059
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESO=C(c1ccncc1O)N1CCCCC1CCCl
InChIInChI=1S/C13H17ClN2O2/c14-6-4-10-3-1-2-8-16(10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2
InChIKeyDGPLYUYJZOZUAL-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[2-(bromomethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443224
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66472291
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
(3-amino-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 105069483

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 81443059) is [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is O=C(c1ccncc1O)N1CCCCC1CCCl.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is DGPLYUYJZOZUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-6-4-10-3-1-2-8-16(10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 81443059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).