ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium

C30H59F2N4Y- — CID 154671214

IUPACethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium
SMILESCC.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CCC1CCN(C2CC[N-]CC2(F)F)CC1.[Y]
InChIInChI=1S/C16H32N2.C12H21F2N2.C2H6.Y/c1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4;1-2-10-4-7-16(8-5-10)11-3-6-15-9-12(11,13)14;1-2;/h13-16H,5-12H2,1-4H3;10-11H,2-9H2,1H3;1-2H3;/q;-1;;
InChIKeyYTIQYFURXCCHBJ-UHFFFAOYSA-N
MW602.73 g/mol
LogP7.14
Rot. Bonds6

About ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium

ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium (PubChem CID 154671214) has the molecular formula C30H59F2N4Y- and a molecular weight of 602.73 g/mol. Its IUPAC name is ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium.

Molecular Properties

Compound Nameethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium
PubChem CID154671214
Molecular FormulaC30H59F2N4Y-
Molecular Weight602.73 g/mol
Exact Mass602.38
IUPAC Nameethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium
SMILESCC.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CCC1CCN(C2CC[N-]CC2(F)F)CC1.[Y]
InChIInChI=1S/C16H32N2.C12H21F2N2.C2H6.Y/c1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4;1-2-10-4-7-16(8-5-10)11-3-6-15-9-12(11,13)14;1-2;/h13-16H,5-12H2,1-4H3;10-11H,2-9H2,1H3;1-2H3;/q;-1;;
InChIKeyYTIQYFURXCCHBJ-UHFFFAOYSA-N
XLogP7.14
TPSA23.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium with MolForge

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Related Compounds

ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
CID 176559274
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
CID 165059219
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 176558403
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
CID 167581175
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium?
The IUPAC name of ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium (CID 154671214) is ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium.
What is the SMILES notation for ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium?
The canonical SMILES for ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium is CC.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CCC1CCN(C2CC[N-]CC2(F)F)CC1.[Y].
What is the InChIKey of ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium?
The InChIKey is YTIQYFURXCCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C12H21F2N2.C2H6.Y/c1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4;1-2-10-4-7-16(8-5-10)11-3-6-15-9-12(11,13)14;1-2;/h13-16H,5-12H2,1-4H3;10-11H,2-9H2,1H3;1-2H3;/q;-1;;.
What are the key properties of ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium?
ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium has a molecular weight of 602.73 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-ethylpiperidin-1-yl)-3,3-difluoropiperidin-1-ide;4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine;yttrium is sourced from PubChem (CID 154671214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).