1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine

C15H23ClN2 — CID 114853729

IUPAC1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1N1CCC(C)C(C)C1
InChIInChI=1S/C15H23ClN2/c1-11-6-7-18(10-12(11)2)15-8-14(16)5-4-13(15)9-17-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyXMSIWIPPFYAVGU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 114853729) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID114853729
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1N1CCC(C)C(C)C1
InChIInChI=1S/C15H23ClN2/c1-11-6-7-18(10-12(11)2)15-8-14(16)5-4-13(15)9-17-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyXMSIWIPPFYAVGU-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114853985
1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
CID 107085230
1-[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylmethanamine
CID 114851558
2-[5-chloro-2-(methylaminomethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853359
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
N-[[4-chloro-2-(3-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 114847307
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine (CID 114853729) is 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1N1CCC(C)C(C)C1.
What is the InChIKey of 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is XMSIWIPPFYAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-7-18(10-12(11)2)15-8-14(16)5-4-13(15)9-17-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114853729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).