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

C20H38FN3 — CID 170953003

IUPAC1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)C1CC(N2CCN(CC3(F)CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C20H38FN3/c1-16(2)18-13-19(14-18)24-11-9-22(10-12-24)15-20(21)5-7-23(8-6-20)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyRAOGXQFCHSHNAT-UHFFFAOYSA-N
MW339.54 g/mol
LogP3.25
Rot. Bonds5

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

1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine (PubChem CID 170953003) has the molecular formula C20H38FN3 and a molecular weight of 339.54 g/mol. Its IUPAC name is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
PubChem CID170953003
Molecular FormulaC20H38FN3
Molecular Weight339.54 g/mol
Exact Mass339.30
IUPAC Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)C1CC(N2CCN(CC3(F)CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C20H38FN3/c1-16(2)18-13-19(14-18)24-11-9-22(10-12-24)15-20(21)5-7-23(8-6-20)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyRAOGXQFCHSHNAT-UHFFFAOYSA-N
XLogP3.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine (CID 170953003) is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine.
What is the SMILES notation for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The canonical SMILES for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine is CC(C)C1CC(N2CCN(CC3(F)CCN(C(C)C)CC3)CC2)C1.
What is the InChIKey of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The InChIKey is RAOGXQFCHSHNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN3/c1-16(2)18-13-19(14-18)24-11-9-22(10-12-24)15-20(21)5-7-23(8-6-20)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine has a molecular weight of 339.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine is sourced from PubChem (CID 170953003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).