(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine

C13H18F2N2 — CID 68995694

IUPAC(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine
SMILESN[C@H]1CCN(CC(F)c2ccccc2)C[C@@H]1F
InChIInChI=1S/C13H18F2N2/c14-11(10-4-2-1-3-5-10)8-17-7-6-13(16)12(15)9-17/h1-5,11-13H,6-9,16H2/t11?,12-,13-/m0/s1
InChIKeyRFZMBCOSNAGAFZ-SPOOISQMSA-N
MW240.30 g/mol
LogP2.07
Rot. Bonds3

About (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine

(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine (PubChem CID 68995694) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine
PubChem CID68995694
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine
SMILESN[C@H]1CCN(CC(F)c2ccccc2)C[C@@H]1F
InChIInChI=1S/C13H18F2N2/c14-11(10-4-2-1-3-5-10)8-17-7-6-13(16)12(15)9-17/h1-5,11-13H,6-9,16H2/t11?,12-,13-/m0/s1
InChIKeyRFZMBCOSNAGAFZ-SPOOISQMSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
3-ethyl-1-(2-phenylpropyl)piperidin-4-amine
CID 81456838
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
CID 141211537
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
N-cyclohexyl-2-[1-(2-fluoro-2-phenylethyl)-4-hydroxypiperidin-4-yl]butanamide
CID 57164548

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine?
The IUPAC name of (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine (CID 68995694) is (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine?
The canonical SMILES for (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine is N[C@H]1CCN(CC(F)c2ccccc2)C[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine?
The InChIKey is RFZMBCOSNAGAFZ-SPOOISQMSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-11(10-4-2-1-3-5-10)8-17-7-6-13(16)12(15)9-17/h1-5,11-13H,6-9,16H2/t11?,12-,13-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine?
(3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine has a molecular weight of 240.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 68995694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).