1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine

C13H19FN2O — CID 114263163

IUPAC1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(OC)c2)CC1
InChIInChI=1S/C13H19FN2O/c1-15-11-3-5-16(6-4-11)12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyVVMWXNWVDKXBPG-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.02
Rot. Bonds3

About 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine

1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine (PubChem CID 114263163) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
PubChem CID114263163
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(OC)c2)CC1
InChIInChI=1S/C13H19FN2O/c1-15-11-3-5-16(6-4-11)12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyVVMWXNWVDKXBPG-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
1-(3-fluoro-5-methoxyphenyl)piperidin-4-one
CID 121456135
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one
CID 130500147
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
1-(4-methoxy-2-methylphenyl)-N-methylpiperidin-4-amine
CID 55129581
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine
CID 109387015
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethyl-2-[2-(3-fluorophenoxy)ethyl]guanidine
CID 109387425
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91329102

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine (CID 114263163) is 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2cc(F)cc(OC)c2)CC1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The InChIKey is VVMWXNWVDKXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-11-3-5-16(6-4-11)12-7-10(14)8-13(9-12)17-2/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine?
1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine has a molecular weight of 238.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 114263163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).