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

C16H25FN2O — CID 81343716

IUPACN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C(C)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-11-9-13(7-8-19(11)3)18-12(2)15-6-5-14(20-4)10-16(15)17/h5-6,10-13,18H,7-9H2,1-4H3
InChIKeyHOBGPNIYAWAFFF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds4

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

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81343716) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81343716
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)NC2CCN(C)C(C)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-11-9-13(7-8-19(11)3)18-12(2)15-6-5-14(20-4)10-16(15)17/h5-6,10-13,18H,7-9H2,1-4H3
InChIKeyHOBGPNIYAWAFFF-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81333341
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 98264241
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240870
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 81343716) is N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is COc1ccc(C(C)NC2CCN(C)C(C)C2)c(F)c1.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is HOBGPNIYAWAFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-9-13(7-8-19(11)3)18-12(2)15-6-5-14(20-4)10-16(15)17/h5-6,10-13,18H,7-9H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81343716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).