N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine

C16H25FN2O — CID 115724414

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1cccc(F)c1C(C)NC1CCN(C)CC1C
InChIInChI=1S/C16H25FN2O/c1-11-10-19(3)9-8-14(11)18-12(2)16-13(17)6-5-7-15(16)20-4/h5-7,11-12,14,18H,8-10H2,1-4H3
InChIKeyLKHNHIMMIJNXFA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.83
Rot. Bonds4

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115724414) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115724414
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1cccc(F)c1C(C)NC1CCN(C)CC1C
InChIInChI=1S/C16H25FN2O/c1-11-10-19(3)9-8-14(11)18-12(2)16-13(17)6-5-7-15(16)20-4/h5-7,11-12,14,18H,8-10H2,1-4H3
InChIKeyLKHNHIMMIJNXFA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115718706
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082815
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-4-methoxyphenol
CID 104582309
2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 97334409
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115724414) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine is COc1cccc(F)c1C(C)NC1CCN(C)CC1C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is LKHNHIMMIJNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-10-19(3)9-8-14(11)18-12(2)16-13(17)6-5-7-15(16)20-4/h5-7,11-12,14,18H,8-10H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 280.39 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-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115724414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).