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

C16H26N2O — CID 81333341

IUPACN-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyIXWAPMZWYHEUMH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81333341) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81333341
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyIXWAPMZWYHEUMH-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 81333341) is N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is COc1ccc(C(C)NC2CCN(C)C(C)C2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is IXWAPMZWYHEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-11-15(9-10-18(12)3)17-13(2)14-5-7-16(19-4)8-6-14/h5-8,12-13,15,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).