1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine

C13H23F2N — CID 144886153

IUPAC1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
SMILESCC[C@H]1CCC[C@@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H23F2N/c1-2-11-4-3-5-12(10-11)16-8-6-13(14,15)7-9-16/h11-12H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyPJWDASPAKVKWLZ-NWDGAFQWSA-N
MW231.33 g/mol
LogP3.69
Rot. Bonds2

About 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine

1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine (PubChem CID 144886153) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
PubChem CID144886153
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
SMILESCC[C@H]1CCC[C@@H](N2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H23F2N/c1-2-11-4-3-5-12(10-11)16-8-6-13(14,15)7-9-16/h11-12H,2-10H2,1H3/t11-,12+/m0/s1
InChIKeyPJWDASPAKVKWLZ-NWDGAFQWSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide
CID 107161581
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
N-cyclopropyl-1-(3-ethylcyclohexyl)pyrrolidin-3-amine
CID 64748391
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405
1-[4-(3-ethylcyclohexyl)morpholin-2-yl]ethanamine
CID 113284948
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64741079
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine (CID 144886153) is 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine is CC[C@H]1CCC[C@@H](N2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine?
The InChIKey is PJWDASPAKVKWLZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23F2N/c1-2-11-4-3-5-12(10-11)16-8-6-13(14,15)7-9-16/h11-12H,2-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine?
1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine has a molecular weight of 231.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine is sourced from PubChem (CID 144886153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).