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

C15H24N2O — CID 63642664

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(14-4-3-10-16-12-14)11-9-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyXWIGFLPHCNSOPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine (PubChem CID 63642664) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
PubChem CID63642664
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(CCN(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(14-4-3-10-16-12-14)11-9-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyXWIGFLPHCNSOPC-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118531494
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
3-(4-methoxyphenyl)piperidine
CID 12937920
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine (CID 63642664) is N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine is COc1ccc(CCN(C)C2CCCNC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine?
The InChIKey is XWIGFLPHCNSOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(14-4-3-10-16-12-14)11-9-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine?
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63642664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).