(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine

C11H14F2N2 — CID 54164051

IUPAC(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine
SMILESN[C@@H]1CCCN[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2/c12-8-4-3-7(6-9(8)13)11-10(14)2-1-5-15-11/h3-4,6,10-11,15H,1-2,5,14H2/t10-,11-/m1/s1
InChIKeyOQKOEWJPRTZODQ-GHMZBOCLSA-N
MW212.24 g/mol
LogP1.72
Rot. Bonds1

About (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine

(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine (PubChem CID 54164051) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine
PubChem CID54164051
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine
SMILESN[C@@H]1CCCN[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2/c12-8-4-3-7(6-9(8)13)11-10(14)2-1-5-15-11/h3-4,6,10-11,15H,1-2,5,14H2/t10-,11-/m1/s1
InChIKeyOQKOEWJPRTZODQ-GHMZBOCLSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(3-chlorophenyl)piperidin-3-amine
CID 22880723
2-(3-chlorophenyl)piperidin-3-amine
CID 22106463
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
[3-(3,4-difluorophenyl)piperidin-2-yl]methanol
CID 117000541
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 45357010
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
2-(furan-2-yl)piperidin-3-amine
CID 82125093
2-(2-chlorophenyl)piperidin-3-amine
CID 82126789
3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
CID 115039873
2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
CID 83834988

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine?
The IUPAC name of (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine (CID 54164051) is (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine.
What is the SMILES notation for (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine?
The canonical SMILES for (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine is N[C@@H]1CCCN[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine?
The InChIKey is OQKOEWJPRTZODQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-8-4-3-7(6-9(8)13)11-10(14)2-1-5-15-11/h3-4,6,10-11,15H,1-2,5,14H2/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine?
(2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine has a molecular weight of 212.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-difluorophenyl)piperidin-3-amine is sourced from PubChem (CID 54164051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).