1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine

C13H19FN2 — CID 82114659

IUPAC1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-13(15)6-8-16(9-7-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyAIUHOTHDUASZKL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine

1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine (PubChem CID 82114659) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
PubChem CID82114659
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-13(15)6-8-16(9-7-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3
InChIKeyAIUHOTHDUASZKL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355997
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 127266063

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine (CID 82114659) is 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine is CC1(N)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine?
The InChIKey is AIUHOTHDUASZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(15)6-8-16(9-7-13)10-11-4-2-3-5-12(11)14/h2-5H,6-10,15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine?
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 82114659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).