1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine

C19H36F2N4 — CID 176558852

IUPAC1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
SMILESCCCN1CCC(N2CC(N3CCN(C(C)CC)CC3)C2)C(F)(F)C1
InChIInChI=1S/C19H36F2N4/c1-4-7-22-8-6-18(19(20,21)15-22)25-13-17(14-25)24-11-9-23(10-12-24)16(3)5-2/h16-18H,4-15H2,1-3H3
InChIKeyBVLXUMHNKILRFZ-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.21
Rot. Bonds6

About 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine

1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine (PubChem CID 176558852) has the molecular formula C19H36F2N4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
PubChem CID176558852
Molecular FormulaC19H36F2N4
Molecular Weight358.52 g/mol
Exact Mass358.29
IUPAC Name1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
SMILESCCCN1CCC(N2CC(N3CCN(C(C)CC)CC3)C2)C(F)(F)C1
InChIInChI=1S/C19H36F2N4/c1-4-7-22-8-6-18(19(20,21)15-22)25-13-17(14-25)24-11-9-23(10-12-24)16(3)5-2/h16-18H,4-15H2,1-3H3
InChIKeyBVLXUMHNKILRFZ-UHFFFAOYSA-N
XLogP2.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine (CID 176558852) is 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine is CCCN1CCC(N2CC(N3CCN(C(C)CC)CC3)C2)C(F)(F)C1.
What is the InChIKey of 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine?
The InChIKey is BVLXUMHNKILRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N4/c1-4-7-22-8-6-18(19(20,21)15-22)25-13-17(14-25)24-11-9-23(10-12-24)16(3)5-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine?
1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine has a molecular weight of 358.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine is sourced from PubChem (CID 176558852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).