2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

C18H30N2O — CID 60957544

IUPAC2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-3-13-21-18-6-4-5-17(14-18)15-19-9-12-20-10-7-16(2)8-11-20/h4-6,14,16,19H,3,7-13,15H2,1-2H3
InChIKeyLRBKFLXOGAPRAX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds8

About 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 60957544) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID60957544
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-3-13-21-18-6-4-5-17(14-18)15-19-9-12-20-10-7-16(2)8-11-20/h4-6,14,16,19H,3,7-13,15H2,1-2H3
InChIKeyLRBKFLXOGAPRAX-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
CID 63897239
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 60957544) is 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNCCN2CCC(C)CC2)c1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is LRBKFLXOGAPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-13-21-18-6-4-5-17(14-18)15-19-9-12-20-10-7-16(2)8-11-20/h4-6,14,16,19H,3,7-13,15H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60957544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).