(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C14H18Cl2N2O — CID 61204735

IUPAC(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-8-10-4-3-7-18(9-10)14(19)11-5-2-6-12(15)13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyPKCRJGJQDDWIRR-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.07
Rot. Bonds3

About (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61204735) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID61204735
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-8-10-4-3-7-18(9-10)14(19)11-5-2-6-12(15)13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyPKCRJGJQDDWIRR-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
N-[[(3S)-1-(2,3-dichlorobenzoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 52859988
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124688075
3-(2,3-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 126793281
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
(2-chloro-6-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63658972
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 61204735) is (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is PKCRJGJQDDWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-17-8-10-4-3-7-18(9-10)14(19)11-5-2-6-12(15)13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 301.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61204735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).