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

C15H24N2O — CID 43180903

IUPACN-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1C(C)NC1CCN(C)CC1
InChIInChI=1S/C15H24N2O/c1-12(14-6-4-5-7-15(14)18-3)16-13-8-10-17(2)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyWKVMSVKPVBVYHG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.44
Rot. Bonds4

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

N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 43180903) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID43180903
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1C(C)NC1CCN(C)CC1
InChIInChI=1S/C15H24N2O/c1-12(14-6-4-5-7-15(14)18-3)16-13-8-10-17(2)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyWKVMSVKPVBVYHG-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine (CID 43180903) is N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine is COc1ccccc1C(C)NC1CCN(C)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is WKVMSVKPVBVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(14-6-4-5-7-15(14)18-3)16-13-8-10-17(2)11-9-13/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43180903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).