1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C21H39F2N3 — CID 170951744

IUPAC1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(C3CC(C(C)C)(C(F)F)C3)CC2)CC1
InChIInChI=1S/C21H39F2N3/c1-16(2)21(20(22)23)13-19(14-21)26-11-9-24(10-12-26)15-18-5-7-25(8-6-18)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyARNVCHHEQJYLGR-UHFFFAOYSA-N
MW371.56 g/mol
LogP3.79
Rot. Bonds6

About 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170951744) has the molecular formula C21H39F2N3 and a molecular weight of 371.56 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170951744
Molecular FormulaC21H39F2N3
Molecular Weight371.56 g/mol
Exact Mass371.31
IUPAC Name1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(C3CC(C(C)C)(C(F)F)C3)CC2)CC1
InChIInChI=1S/C21H39F2N3/c1-16(2)21(20(22)23)13-19(14-21)26-11-9-24(10-12-26)15-18-5-7-25(8-6-18)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyARNVCHHEQJYLGR-UHFFFAOYSA-N
XLogP3.79
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine with MolForge

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Related Compounds

1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
CID 176935979
(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170951744) is 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(CN2CCN(C3CC(C(C)C)(C(F)F)C3)CC2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is ARNVCHHEQJYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39F2N3/c1-16(2)21(20(22)23)13-19(14-21)26-11-9-24(10-12-26)15-18-5-7-25(8-6-18)17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 371.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).