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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Related Compounds

1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazin-1-yl]-2-methylbutan-1-one
CID 176559863
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
CID 177062240
(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177134647
ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
CID 176559274
3-(4-butan-2-ylpiperazin-1-yl)cyclopentan-1-ol
CID 79643371
1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 176558403
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
1-butan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 170586069
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
CID 176933645
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821

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).