1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine

C17H33F2N3 — CID 170586111

IUPAC1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCN(CC(F)(F)C(C)C)CC2)CC1
InChIInChI=1S/C17H33F2N3/c1-14(2)17(18,19)13-20-7-5-16(6-8-20)22-11-9-21(10-12-22)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyZPARRRUJTYTTHX-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.77
Rot. Bonds5

About 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine

1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 170586111) has the molecular formula C17H33F2N3 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID170586111
Molecular FormulaC17H33F2N3
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCN(CC(F)(F)C(C)C)CC2)CC1
InChIInChI=1S/C17H33F2N3/c1-14(2)17(18,19)13-20-7-5-16(6-8-20)22-11-9-21(10-12-22)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyZPARRRUJTYTTHX-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]pentan-1-amine
CID 171748529
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
1-pentyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 166118536

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine (CID 170586111) is 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCN(CC(F)(F)C(C)C)CC2)CC1.
What is the InChIKey of 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is ZPARRRUJTYTTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2N3/c1-14(2)17(18,19)13-20-7-5-16(6-8-20)22-11-9-21(10-12-22)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 317.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-3-methylbutyl)piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170586111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).