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

C13H19FN2O — CID 114838333

IUPACN-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1cc(NC2CCCN(C)C2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-16-7-3-4-11(9-16)15-10-5-6-12(14)13(8-10)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyBYSKDUYSCJDUNO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.34
Rot. Bonds3

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

N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine (PubChem CID 114838333) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
PubChem CID114838333
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1cc(NC2CCCN(C)C2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-16-7-3-4-11(9-16)15-10-5-6-12(14)13(8-10)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyBYSKDUYSCJDUNO-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
2-fluoro-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 113319762
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
CID 62911293
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
2-amino-4-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 104500309

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine (CID 114838333) is N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine is COc1cc(NC2CCCN(C)C2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine?
The InChIKey is BYSKDUYSCJDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-7-3-4-11(9-16)15-10-5-6-12(14)13(8-10)17-2/h5-6,8,11,15H,3-4,7,9H2,1-2H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine?
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 114838333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).