1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine

C16H26N2O — CID 147131335

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCCOc1ccc(CCN2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-14(5-7-16)8-11-18-12-9-15(17-2)10-13-18/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyBQGWEFZRDAHOCY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine

1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 147131335) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
PubChem CID147131335
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCCOc1ccc(CCN2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-14(5-7-16)8-11-18-12-9-15(17-2)10-13-18/h4-7,15,17H,3,8-13H2,1-2H3
InChIKeyBQGWEFZRDAHOCY-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
CID 138037459
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine (CID 147131335) is 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine is CCOc1ccc(CCN2CCC(NC)CC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is BQGWEFZRDAHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-6-4-14(5-7-16)8-11-18-12-9-15(17-2)10-13-18/h4-7,15,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 147131335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).