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

C13H19FN2 — CID 11368047

IUPAC1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1c(F)cccc1CN1CCC(N)CC1
InChIInChI=1S/C13H19FN2/c1-10-11(3-2-4-13(10)14)9-16-7-5-12(15)6-8-16/h2-4,12H,5-9,15H2,1H3
InChIKeyGUYUAUJPZKSXRC-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.06
Rot. Bonds2

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

1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 11368047) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
PubChem CID11368047
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1c(F)cccc1CN1CCC(N)CC1
InChIInChI=1S/C13H19FN2/c1-10-11(3-2-4-13(10)14)9-16-7-5-12(15)6-8-16/h2-4,12H,5-9,15H2,1H3
InChIKeyGUYUAUJPZKSXRC-UHFFFAOYSA-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-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
1-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908405
3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
CID 42293192
(4aR,8aR)-6-[(3-fluoro-2-methylphenyl)methyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 124806330
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-amine
CID 120834490
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
(3S)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 81491890
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine (CID 11368047) is 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine is Cc1c(F)cccc1CN1CCC(N)CC1.
What is the InChIKey of 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is GUYUAUJPZKSXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-11(3-2-4-13(10)14)9-16-7-5-12(15)6-8-16/h2-4,12H,5-9,15H2,1H3.
What are the key properties of 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-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 1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 11368047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).