5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine

C16H22F2N2 — CID 167117559

IUPAC5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
SMILESNC1CC(F)CN([C@@H]2CCC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C16H22F2N2/c17-13-4-1-11(2-5-13)12-3-6-16(7-12)20-9-14(18)8-15(19)10-20/h1-2,4-5,12,14-16H,3,6-10,19H2/t12?,14?,15?,16-/m1/s1
InChIKeyIURUPXLMSCKXJP-GFNQVQDPSA-N
MW280.36 g/mol
LogP2.83
Rot. Bonds2

About 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine

5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine (PubChem CID 167117559) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
PubChem CID167117559
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine
SMILESNC1CC(F)CN([C@@H]2CCC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C16H22F2N2/c17-13-4-1-11(2-5-13)12-3-6-16(7-12)20-9-14(18)8-15(19)10-20/h1-2,4-5,12,14-16H,3,6-10,19H2/t12?,14?,15?,16-/m1/s1
InChIKeyIURUPXLMSCKXJP-GFNQVQDPSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The IUPAC name of 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine (CID 167117559) is 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine is NC1CC(F)CN([C@@H]2CCC(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
The InChIKey is IURUPXLMSCKXJP-GFNQVQDPSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-13-4-1-11(2-5-13)12-3-6-16(7-12)20-9-14(18)8-15(19)10-20/h1-2,4-5,12,14-16H,3,6-10,19H2/t12?,14?,15?,16-/m1/s1.
What are the key properties of 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine?
5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine has a molecular weight of 280.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1R)-3-(4-fluorophenyl)cyclopentyl]piperidin-3-amine is sourced from PubChem (CID 167117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).