1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine

C17H27ClN2O — CID 102967285

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC(OC)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-3-19-17(14-6-8-15(18)9-7-14)10-12-20-11-4-5-16(13-20)21-2/h6-9,16-17,19H,3-5,10-13H2,1-2H3
InChIKeyJSMKFLCMTQCKLY-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.49
Rot. Bonds7

About 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine

1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine (PubChem CID 102967285) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
PubChem CID102967285
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC(OC)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-3-19-17(14-6-8-15(18)9-7-14)10-12-20-11-4-5-16(13-20)21-2/h6-9,16-17,19H,3-5,10-13H2,1-2H3
InChIKeyJSMKFLCMTQCKLY-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
CID 114800071
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965565
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine (CID 102967285) is 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine is CCNC(CCN1CCCC(OC)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The InChIKey is JSMKFLCMTQCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-19-17(14-6-8-15(18)9-7-14)10-12-20-11-4-5-16(13-20)21-2/h6-9,16-17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine?
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 102967285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).