ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine

C15H30F2N2 — CID 154671125

IUPACethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine
SMILESCC.CCC1CCN(C2CCN(CC)CC2(F)F)C1
InChIInChI=1S/C13H24F2N2.C2H6/c1-3-11-5-8-17(9-11)12-6-7-16(4-2)10-13(12,14)15;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyOPLLOQQAMXFFBQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.47
Rot. Bonds3

About ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine

ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine (PubChem CID 154671125) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine
PubChem CID154671125
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Nameethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine
SMILESCC.CCC1CCN(C2CCN(CC)CC2(F)F)C1
InChIInChI=1S/C13H24F2N2.C2H6/c1-3-11-5-8-17(9-11)12-6-7-16(4-2)10-13(12,14)15;1-2/h11-12H,3-10H2,1-2H3;1-2H3
InChIKeyOPLLOQQAMXFFBQ-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 171359672
1-Tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
1-Propan-2-yl-4-(trifluoromethyl)piperidine
CID 58760561
1-(1,3-Difluoropropan-2-yl)-4-methylpiperidine
CID 58787293
3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
CID 59603412
1-Ethyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 68166276
4-(3,3-Difluoropyrrolidin-1-yl)-1-methylpiperidine
CID 69929021
1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]piperidine
CID 69929292
4-Methyl-1-(4,4,4-trifluorobutan-2-yl)piperidine
CID 69929507
4-Methyl-1-(1,1,1-trifluoropropan-2-yl)piperidine
CID 70335780
4-Ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 89043602
6-Fluoro-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 89548891

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine?
The IUPAC name of ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine (CID 154671125) is ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine.
What is the SMILES notation for ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine?
The canonical SMILES for ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine is CC.CCC1CCN(C2CCN(CC)CC2(F)F)C1.
What is the InChIKey of ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine?
The InChIKey is OPLLOQQAMXFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2.C2H6/c1-3-11-5-8-17(9-11)12-6-7-16(4-2)10-13(12,14)15;1-2/h11-12H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine?
ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine has a molecular weight of 276.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(3-ethylpyrrolidin-1-yl)-3,3-difluoropiperidine is sourced from PubChem (CID 154671125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).