N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine

C15H23FN2O — CID 114839949

IUPACN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)c(OC)c2)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-14-7-8-18(10-11(14)2)12-5-6-13(16)15(9-12)19-3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyQHQWGJPCKVATSI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.66
Rot. Bonds4

About N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine (PubChem CID 114839949) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine
PubChem CID114839949
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)c(OC)c2)CC1C
InChIInChI=1S/C15H23FN2O/c1-4-17-14-7-8-18(10-11(14)2)12-5-6-13(16)15(9-12)19-3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyQHQWGJPCKVATSI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644985
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975397
1-(4-fluoro-3-methoxyphenyl)-3,6-dimethyl-1,5-diazocane
CID 114840672
1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-one
CID 114839933
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane
CID 114840926
3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 54975533
1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975148
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
1-(4-bromo-3-methoxyphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 82868076
1-[4-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 71927531
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62915942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine (CID 114839949) is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine is CCNC1CCN(c2ccc(F)c(OC)c2)CC1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine?
The InChIKey is QHQWGJPCKVATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-17-14-7-8-18(10-11(14)2)12-5-6-13(16)15(9-12)19-3/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine?
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 114839949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).