2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone

C15H20ClNO2 — CID 43245490

IUPAC2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCCCC1CCO
InChIInChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17-10-5-4-8-13(17)9-11-18/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeyHYMWRTBUJDUQPK-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone

2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 43245490) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID43245490
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCCCC1CCO
InChIInChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17-10-5-4-8-13(17)9-11-18/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeyHYMWRTBUJDUQPK-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloro-2-phenylethanone
CID 43628136
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312033
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
3-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 80551170
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
N-(1-benzylpiperidin-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 127591342
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 43133201
2-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone (CID 43245490) is 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone is O=C(C(Cl)c1ccccc1)N1CCCCC1CCO.
What is the InChIKey of 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is HYMWRTBUJDUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14(12-6-2-1-3-7-12)15(19)17-10-5-4-8-13(17)9-11-18/h1-3,6-7,13-14,18H,4-5,8-11H2.
What are the key properties of 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone?
2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 281.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 43245490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).