1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine

C16H25ClN2O — CID 65021313

IUPAC1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCN1CCCC(CNC)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-19-9-5-6-13(11-18-2)16(19)12-7-8-15(20-3)14(17)10-12/h7-8,10,13,16,18H,4-6,9,11H2,1-3H3
InChIKeyUINPKJUDPRKOST-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine

1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 65021313) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
PubChem CID65021313
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCN1CCCC(CNC)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-4-19-9-5-6-13(11-18-2)16(19)12-7-8-15(20-3)14(17)10-12/h7-8,10,13,16,18H,4-6,9,11H2,1-3H3
InChIKeyUINPKJUDPRKOST-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
CID 65021410
N-[[2-(3-chloro-4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 65021457
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
1-[1-ethyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 104823700
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
CID 65101555
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
2-methoxy-5-[1-methyl-3-(methylaminomethyl)azepan-2-yl]benzonitrile
CID 65336556
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215876
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine (CID 65021313) is 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine is CCN1CCCC(CNC)C1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is UINPKJUDPRKOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-19-9-5-6-13(11-18-2)16(19)12-7-8-15(20-3)14(17)10-12/h7-8,10,13,16,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65021313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).