2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine

C16H24Cl2N2O — CID 46245260

IUPAC2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C16H24Cl2N2O/c1-21-10-9-19-8-6-16(5-2-7-20-12-16)13-3-4-14(17)15(18)11-13/h3-4,11,19-20H,2,5-10,12H2,1H3/t16-/m1/s1
InChIKeyUQMKYAHKJZUILU-MRXNPFEDSA-N
MW331.29 g/mol
LogP3.24
Rot. Bonds7

About 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 46245260) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID46245260
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C16H24Cl2N2O/c1-21-10-9-19-8-6-16(5-2-7-20-12-16)13-3-4-14(17)15(18)11-13/h3-4,11,19-20H,2,5-10,12H2,1H3/t16-/m1/s1
InChIKeyUQMKYAHKJZUILU-MRXNPFEDSA-N
XLogP3.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine 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

(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
CID 11119744
3-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]propanenitrile
CID 46245018
N-[2-[3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 68654177
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-N-methylmethanesulfonamide
CID 46244927
[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate
CID 68653852
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
3-(2-methoxyethyl)-3-phenylpyrrolidine
CID 154163341
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine (CID 46245260) is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine is COCCNCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is UQMKYAHKJZUILU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-21-10-9-19-8-6-16(5-2-7-20-12-16)13-3-4-14(17)15(18)11-13/h3-4,11,19-20H,2,5-10,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine?
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 331.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 46245260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).