ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine

C22H43F2N3 — CID 176559274

IUPACethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC.CCC1CCC(N2CC[C@H](N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C2H6/c1-4-17-5-7-18(8-6-17)25-10-9-19(20(21,22)15-25)24-13-11-23(12-14-24)16(2)3;1-2/h16-19H,4-15H2,1-3H3;1-2H3/t17?,18?,19-;/m0./s1
InChIKeyZPJPPPBHELNWEW-POAWQLQASA-N
MW387.60 g/mol
LogP4.72
Rot. Bonds4

About ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine

ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 176559274) has the molecular formula C22H43F2N3 and a molecular weight of 387.60 g/mol. Its IUPAC name is ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID176559274
Molecular FormulaC22H43F2N3
Molecular Weight387.60 g/mol
Exact Mass387.34
IUPAC Nameethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC.CCC1CCC(N2CC[C@H](N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C2H6/c1-4-17-5-7-18(8-6-17)25-10-9-19(20(21,22)15-25)24-13-11-23(12-14-24)16(2)3;1-2/h16-19H,4-15H2,1-3H3;1-2H3/t17?,18?,19-;/m0./s1
InChIKeyZPJPPPBHELNWEW-POAWQLQASA-N
XLogP4.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 176558403
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
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
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
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
1-(4-but-1-en-2-ylcyclohexyl)-4-propan-2-ylpiperazine
CID 169188759
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]propanethioamide
CID 64748292
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine (CID 176559274) is ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine is CC.CCC1CCC(N2CC[C@H](N3CCN(C(C)C)CC3)C(F)(F)C2)CC1.
What is the InChIKey of ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is ZPJPPPBHELNWEW-POAWQLQASA-N. The full InChI is InChI=1S/C20H37F2N3.C2H6/c1-4-17-5-7-18(8-6-17)25-10-9-19(20(21,22)15-25)24-13-11-23(12-14-24)16(2)3;1-2/h16-19H,4-15H2,1-3H3;1-2H3/t17?,18?,19-;/m0./s1.
What are the key properties of ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine?
ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 387.60 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 176559274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).