(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine

C12H19F2N — CID 169114344

IUPAC(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2=CCC(F)(F)CC2)NC1
InChIInChI=1S/C12H19F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h4,9,11,15H,2-3,5-8H2,1H3/t9-,11+/m0/s1
InChIKeyGKQOJCUJXQNOAZ-GXSJLCMTSA-N
MW215.29 g/mol
LogP3.12
Rot. Bonds1

About (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine

(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine (PubChem CID 169114344) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
PubChem CID169114344
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2=CCC(F)(F)CC2)NC1
InChIInChI=1S/C12H19F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h4,9,11,15H,2-3,5-8H2,1H3/t9-,11+/m0/s1
InChIKeyGKQOJCUJXQNOAZ-GXSJLCMTSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine (CID 169114344) is (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine is C[C@H]1CC[C@H](C2=CCC(F)(F)CC2)NC1.
What is the InChIKey of (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine?
The InChIKey is GKQOJCUJXQNOAZ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H19F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h4,9,11,15H,2-3,5-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine?
(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine has a molecular weight of 215.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine is sourced from PubChem (CID 169114344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).