(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine

C13H19FN2 — CID 24904859

IUPAC(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cc(F)ccc1CN1CCC[C@H](N)C1
InChIInChI=1S/C13H19FN2/c1-10-7-12(14)5-4-11(10)8-16-6-2-3-13(15)9-16/h4-5,7,13H,2-3,6,8-9,15H2,1H3/t13-/m0/s1
InChIKeyXIMFMHZBZINZPV-ZDUSSCGKSA-N
MW222.31 g/mol
LogP2.06
Rot. Bonds2

About (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine

(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine (PubChem CID 24904859) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
PubChem CID24904859
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cc(F)ccc1CN1CCC[C@H](N)C1
InChIInChI=1S/C13H19FN2/c1-10-7-12(14)5-4-11(10)8-16-6-2-3-13(15)9-16/h4-5,7,13H,2-3,6,8-9,15H2,1H3/t13-/m0/s1
InChIKeyXIMFMHZBZINZPV-ZDUSSCGKSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 114345620
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine (CID 24904859) is (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine is Cc1cc(F)ccc1CN1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is XIMFMHZBZINZPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-7-12(14)5-4-11(10)8-16-6-2-3-13(15)9-16/h4-5,7,13H,2-3,6,8-9,15H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine?
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24904859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).