1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine

C22H39F2N3 — CID 176558403

IUPAC1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCCC1CC2(C1)CC(N1CCC(N3CCN(C(C)C)CC3)C(F)(F)C1)C2
InChIInChI=1S/C22H39F2N3/c1-4-5-18-12-21(13-18)14-19(15-21)27-7-6-20(22(23,24)16-27)26-10-8-25(9-11-26)17(2)3/h17-20H,4-16H2,1-3H3
InChIKeyFIFSHFFRJMYZOR-UHFFFAOYSA-N
MW383.57 g/mol
LogP4.08
Rot. Bonds5

About 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine

1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 176558403) has the molecular formula C22H39F2N3 and a molecular weight of 383.57 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID176558403
Molecular FormulaC22H39F2N3
Molecular Weight383.57 g/mol
Exact Mass383.31
IUPAC Name1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCCC1CC2(C1)CC(N1CCC(N3CCN(C(C)C)CC3)C(F)(F)C1)C2
InChIInChI=1S/C22H39F2N3/c1-4-5-18-12-21(13-18)14-19(15-21)27-7-6-20(22(23,24)16-27)26-10-8-25(9-11-26)17(2)3/h17-20H,4-16H2,1-3H3
InChIKeyFIFSHFFRJMYZOR-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine 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
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
CID 165059219
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
CID 176558852
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-(1-ethylazetidin-3-yl)-3,3-difluoro-4-propylpiperidine
CID 170175606

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine (CID 176558403) is 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine is CCCC1CC2(C1)CC(N1CCC(N3CCN(C(C)C)CC3)C(F)(F)C1)C2.
What is the InChIKey of 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is FIFSHFFRJMYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39F2N3/c1-4-5-18-12-21(13-18)14-19(15-21)27-7-6-20(22(23,24)16-27)26-10-8-25(9-11-26)17(2)3/h17-20H,4-16H2,1-3H3.
What are the key properties of 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 383.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 176558403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).