N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C14H20Cl2N2 — CID 103815611

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1cccc(Cl)c1Cl)CC1CCCNC1
InChIInChI=1S/C14H20Cl2N2/c1-18(9-11-4-3-7-17-8-11)10-12-5-2-6-13(15)14(12)16/h2,5-6,11,17H,3-4,7-10H2,1H3
InChIKeyYHGIAILCZSBCHS-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.42
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 103815611) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID103815611
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1cccc(Cl)c1Cl)CC1CCCNC1
InChIInChI=1S/C14H20Cl2N2/c1-18(9-11-4-3-7-17-8-11)10-12-5-2-6-13(15)14(12)16/h2,5-6,11,17H,3-4,7-10H2,1H3
InChIKeyYHGIAILCZSBCHS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623813
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 103815611) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1cccc(Cl)c1Cl)CC1CCCNC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is YHGIAILCZSBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-18(9-11-4-3-7-17-8-11)10-12-5-2-6-13(15)14(12)16/h2,5-6,11,17H,3-4,7-10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 103815611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).