N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine

C16H26N2O — CID 79690675

IUPACN-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1cccc(C(C)NC2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-10-15(8-9-18(12)3)17-13(2)14-6-5-7-16(11-14)19-4/h5-7,11-13,15,17H,8-10H2,1-4H3
InChIKeyKKGMEAYGEMQAAW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine

N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 79690675) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID79690675
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1cccc(C(C)NC2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-10-15(8-9-18(12)3)17-13(2)14-6-5-7-16(11-14)19-4/h5-7,11-13,15,17H,8-10H2,1-4H3
InChIKeyKKGMEAYGEMQAAW-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-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81333341
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
3-[1-[(1,2-dimethylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 81342944
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 79690675) is N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is COc1cccc(C(C)NC2CCN(C)C(C)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is KKGMEAYGEMQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-15(8-9-18(12)3)17-13(2)14-6-5-7-16(11-14)19-4/h5-7,11-13,15,17H,8-10H2,1-4H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(3-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-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 79690675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).