1-benzyl-3-(2-fluorophenyl)piperidin-3-amine

C18H21FN2 — CID 130137252

IUPAC1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
SMILESNC1(c2ccccc2F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21FN2/c19-17-10-5-4-9-16(17)18(20)11-6-12-21(14-18)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2
InChIKeyIDCOVVNQSCJJPH-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.28
Rot. Bonds3

About 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine

1-benzyl-3-(2-fluorophenyl)piperidin-3-amine (PubChem CID 130137252) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
PubChem CID130137252
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
SMILESNC1(c2ccccc2F)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21FN2/c19-17-10-5-4-9-16(17)18(20)11-6-12-21(14-18)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2
InChIKeyIDCOVVNQSCJJPH-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
1-benzyl-3-(furan-2-yl)piperidin-3-amine
CID 83693426
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine (CID 130137252) is 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine is NC1(c2ccccc2F)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine?
The InChIKey is IDCOVVNQSCJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-10-5-4-9-16(17)18(20)11-6-12-21(14-18)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,20H2.
What are the key properties of 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine?
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 130137252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).