(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine

C12H21F2N — CID 169114303

IUPAC(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2CCC(F)(F)CC2)NC1
InChIInChI=1S/C12H21F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyGQIGOZAQCUKYSN-GXSJLCMTSA-N
MW217.30 g/mol
LogP3.20
Rot. Bonds1

About (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine

(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine (PubChem CID 169114303) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine
PubChem CID169114303
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](C2CCC(F)(F)CC2)NC1
InChIInChI=1S/C12H21F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyGQIGOZAQCUKYSN-GXSJLCMTSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-piperidin-4-ylpiperidine
CID 57049710
6-(5-methylpiperidin-2-yl)spiro[3.3]heptan-2-ol
CID 170904522
2-(3,4-dimethylcyclohexyl)-5-methylpiperidine
CID 106779509
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
(2R,5S)-5-methyl-2-(1-methylcyclopropyl)piperidine
CID 169115095
1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone
CID 164751842
(2R,5S)-5-methyl-2-[1-(trifluoromethyl)cyclopropyl]piperidine
CID 169113557
2,5-dimethylpiperidine;hydrochloride
CID 55286237
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine (CID 169114303) is (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine is C[C@H]1CC[C@H](C2CCC(F)(F)CC2)NC1.
What is the InChIKey of (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine?
The InChIKey is GQIGOZAQCUKYSN-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H21F2N/c1-9-2-3-11(15-8-9)10-4-6-12(13,14)7-5-10/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine?
(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine has a molecular weight of 217.30 g/mol, XLogP of 3.20, 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-difluorocyclohexyl)-5-methylpiperidine is sourced from PubChem (CID 169114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).