1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine

C13H18Cl2N2 — CID 79879944

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2cccc(Cl)c2Cl)CCC1N
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(6-5-12(9)16)8-10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3
InChIKeyWQUKMFBDTAJSPC-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.16
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine

1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79879944) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
PubChem CID79879944
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2cccc(Cl)c2Cl)CCC1N
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(6-5-12(9)16)8-10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3
InChIKeyWQUKMFBDTAJSPC-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine 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

(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119924970

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine (CID 79879944) is 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2cccc(Cl)c2Cl)CCC1N.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is WQUKMFBDTAJSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-7-17(6-5-12(9)16)8-10-3-2-4-11(14)13(10)15/h2-4,9,12H,5-8,16H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine?
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 273.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79879944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).