N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine

C15H23ClN2O — CID 43665336

IUPACN-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccc(NC2CC(C)N(C)CC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-9-18(3)11(2)7-14(10)17-12-5-6-15(19-4)13(16)8-12/h5-6,8,10-11,14,17H,7,9H2,1-4H3
InChIKeyAGBJNBBLWXURNR-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.49
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665336) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665336
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCOc1ccc(NC2CC(C)N(C)CC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-9-18(3)11(2)7-14(10)17-12-5-6-15(19-4)13(16)8-12/h5-6,8,10-11,14,17H,7,9H2,1-4H3
InChIKeyAGBJNBBLWXURNR-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-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

N-(4-chloro-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 107270537
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
CID 60942486
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
CID 64774712
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
N-(5-chloro-2-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665303
N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43733213

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 43665336) is N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine is COc1ccc(NC2CC(C)N(C)CC2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is AGBJNBBLWXURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-9-18(3)11(2)7-14(10)17-12-5-6-15(19-4)13(16)8-12/h5-6,8,10-11,14,17H,7,9H2,1-4H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 282.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).