3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine

C13H19FN2O — CID 115042632

IUPAC3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCCC(N)(CF)C2)c1
InChIInChI=1S/C13H19FN2O/c1-17-12-5-2-4-11(8-12)16-7-3-6-13(15,9-14)10-16/h2,4-5,8H,3,6-7,9-10,15H2,1H3
InChIKeyAXRWZHCLQVMZSI-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.96
Rot. Bonds3

About 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine

3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine (PubChem CID 115042632) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
PubChem CID115042632
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCCC(N)(CF)C2)c1
InChIInChI=1S/C13H19FN2O/c1-17-12-5-2-4-11(8-12)16-7-3-6-13(15,9-14)10-16/h2,4-5,8H,3,6-7,9-10,15H2,1H3
InChIKeyAXRWZHCLQVMZSI-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)azepane
CID 57276431
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
3,3-diethyl-1-(3-methoxyphenyl)-1,4-diazepane
CID 64945493
(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one
CID 147782520
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97140954
3,3-diethyl-1-(3-methoxyphenyl)piperazine
CID 64926809
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84778504
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024761

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine (CID 115042632) is 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine is COc1cccc(N2CCCC(N)(CF)C2)c1.
What is the InChIKey of 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine?
The InChIKey is AXRWZHCLQVMZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12-5-2-4-11(8-12)16-7-3-6-13(15,9-14)10-16/h2,4-5,8H,3,6-7,9-10,15H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine?
3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 115042632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).