(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine

C12H20F4N2 — CID 95634847

IUPAC(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine
SMILESFC(F)C(F)(F)CN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H20F4N2/c13-11(14)12(15,16)9-17-5-3-4-10(8-17)18-6-1-2-7-18/h10-11H,1-9H2/t10-/m1/s1
InChIKeyKZYCNGKNAAFNSS-SNVBAGLBSA-N
MW268.30 g/mol
LogP2.45
Rot. Bonds4

About (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine

(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine (PubChem CID 95634847) has the molecular formula C12H20F4N2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine.

Molecular Properties

Compound Name(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine
PubChem CID95634847
Molecular FormulaC12H20F4N2
Molecular Weight268.30 g/mol
Exact Mass268.16
IUPAC Name(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine
SMILESFC(F)C(F)(F)CN1CCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C12H20F4N2/c13-11(14)12(15,16)9-17-5-3-4-10(8-17)18-6-1-2-7-18/h10-11H,1-9H2/t10-/m1/s1
InChIKeyKZYCNGKNAAFNSS-SNVBAGLBSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 175318874
3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 103740100
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpropan-2-amine
CID 63151224
potassium 1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl(trifluoro)boranuide
CID 63704108
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-2-methylpropan-2-amine
CID 63151812
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpentan-2-amine
CID 63151429
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pentan-3-ol
CID 115919450
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3,3,3-trifluoropropanenitrile
CID 103367969

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine?
The IUPAC name of (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine (CID 95634847) is (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine.
What is the SMILES notation for (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine?
The canonical SMILES for (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine is FC(F)C(F)(F)CN1CCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine?
The InChIKey is KZYCNGKNAAFNSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20F4N2/c13-11(14)12(15,16)9-17-5-3-4-10(8-17)18-6-1-2-7-18/h10-11H,1-9H2/t10-/m1/s1.
What are the key properties of (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine?
(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine has a molecular weight of 268.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine is sourced from PubChem (CID 95634847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).