(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone

C14H19ClN2O — CID 63393268

IUPAC(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(Cl)C2)cc1
InChIInChI=1S/C14H19ClN2O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyPHSBYPQBANXFCU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.60
Rot. Bonds2

About (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone

(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 63393268) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
PubChem CID63393268
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC(Cl)C2)cc1
InChIInChI=1S/C14H19ClN2O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyPHSBYPQBANXFCU-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.60
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

[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 16671625
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone (CID 63393268) is (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCCC(Cl)C2)cc1.
What is the InChIKey of (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is PHSBYPQBANXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16(2)13-7-5-11(6-8-13)14(18)17-9-3-4-12(15)10-17/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone?
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 266.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 63393268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).