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

C15H21ClN2O — CID 43585921

IUPAC2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
SMILESCN(C)C1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17(2)13-8-10-18(11-9-13)15(19)14(16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKeyJUUBRVIFOYWFAK-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.52
Rot. Bonds3

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

2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone (PubChem CID 43585921) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
PubChem CID43585921
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
SMILESCN(C)C1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17(2)13-8-10-18(11-9-13)15(19)14(16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKeyJUUBRVIFOYWFAK-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.52
H-Bond Donors ≤ 50
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-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 43133201
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
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]propan-1-one
CID 43585925
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
CID 119306958
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 124567680
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 119874478
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone (CID 43585921) is 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone is CN(C)C1CCN(C(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone?
The InChIKey is JUUBRVIFOYWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17(2)13-8-10-18(11-9-13)15(19)14(16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone?
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone has a molecular weight of 280.80 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 43585921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).