2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone

C14H18ClNO2 — CID 43133201

IUPAC2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C14H18ClNO2/c15-13(12-4-2-1-3-5-12)14(18)16-8-6-11(10-17)7-9-16/h1-5,11,13,17H,6-10H2
InChIKeyUTSVZYBYPIXAJX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone

2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 43133201) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID43133201
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(C(Cl)c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C14H18ClNO2/c15-13(12-4-2-1-3-5-12)14(18)16-8-6-11(10-17)7-9-16/h1-5,11,13,17H,6-10H2
InChIKeyUTSVZYBYPIXAJX-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.20
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

2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
CID 54876088
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
CID 43585921
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 109380455
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]propanenitrile
CID 115347864
2-chloro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 43245490
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone (CID 43133201) is 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone is O=C(C(Cl)c1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is UTSVZYBYPIXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13(12-4-2-1-3-5-12)14(18)16-8-6-11(10-17)7-9-16/h1-5,11,13,17H,6-10H2.
What are the key properties of 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone?
2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 267.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 43133201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).