3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine

C13H19FN2 — CID 115033528

IUPAC3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
SMILESCc1ccccc1N1CCCC(N)(CF)C1
InChIInChI=1S/C13H19FN2/c1-11-5-2-3-6-12(11)16-8-4-7-13(15,9-14)10-16/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyOBRKAPDMQWJVCY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.26
Rot. Bonds2

About 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine

3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine (PubChem CID 115033528) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
PubChem CID115033528
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
SMILESCc1ccccc1N1CCCC(N)(CF)C1
InChIInChI=1S/C13H19FN2/c1-11-5-2-3-6-12(11)16-8-4-7-13(15,9-14)10-16/h2-3,5-6H,4,7-10,15H2,1H3
InChIKeyOBRKAPDMQWJVCY-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
CID 117012529
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane
CID 117014530
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
4-hydroxy-1-(2-methylphenyl)azepane-4-carboxylic acid
CID 115055686

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine (CID 115033528) is 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine is Cc1ccccc1N1CCCC(N)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine?
The InChIKey is OBRKAPDMQWJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-11-5-2-3-6-12(11)16-8-4-7-13(15,9-14)10-16/h2-3,5-6H,4,7-10,15H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine?
3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 115033528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).