1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine

C17H28N2O — CID 107852949

IUPAC1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-18-16-8-12-19(13-9-16)11-7-15-5-4-6-17(14-15)20-2/h4-6,14,16,18H,3,7-13H2,1-2H3
InChIKeySWSGFNSDXIHAFH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine

1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine (PubChem CID 107852949) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
PubChem CID107852949
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-18-16-8-12-19(13-9-16)11-7-15-5-4-6-17(14-15)20-2/h4-6,14,16,18H,3,7-13H2,1-2H3
InChIKeySWSGFNSDXIHAFH-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111020023
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine
CID 90423652
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019316

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine (CID 107852949) is 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine is CCCNC1CCN(CCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is SWSGFNSDXIHAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-16-8-12-19(13-9-16)11-7-15-5-4-6-17(14-15)20-2/h4-6,14,16,18H,3,7-13H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine?
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 107852949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).