(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone

C15H21ClN2O — CID 56932357

IUPAC(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccc(N)c(Cl)c2)CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-5-15(6-8-18-9-7-15)14(19)11-3-4-13(17)12(16)10-11/h3-4,10,18H,2,5-9,17H2,1H3
InChIKeyKLFVBHDTQIGGFY-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.27
Rot. Bonds4

About (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone

(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 56932357) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
PubChem CID56932357
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccc(N)c(Cl)c2)CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-5-15(6-8-18-9-7-15)14(19)11-3-4-13(17)12(16)10-11/h3-4,10,18H,2,5-9,17H2,1H3
InChIKeyKLFVBHDTQIGGFY-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569157
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
(4-chloro-3-phenylsulfanylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 44547630
(4-amino-3-chlorophenyl)-[2-(ethoxymethyl)pyrrolidin-2-yl]methanone
CID 59744945
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone (CID 56932357) is (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)c2ccc(N)c(Cl)c2)CCNCC1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is KLFVBHDTQIGGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-5-15(6-8-18-9-7-15)14(19)11-3-4-13(17)12(16)10-11/h3-4,10,18H,2,5-9,17H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone?
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 56932357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).