1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine

C28H57F2N5 — CID 162000375

IUPAC1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCC(F)(F)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H20N2.C10H22N2.C8H15F2N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-5-3-8(9,10)4-6-11/h9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;7H,3-6H2,1-2H3
InChIKeyYSCYIGDDYYABNF-UHFFFAOYSA-N
MW501.80 g/mol
LogP4.72
Rot. Bonds5

About 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine

1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine (PubChem CID 162000375) has the molecular formula C28H57F2N5 and a molecular weight of 501.80 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine
PubChem CID162000375
Molecular FormulaC28H57F2N5
Molecular Weight501.80 g/mol
Exact Mass501.46
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCC(F)(F)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H20N2.C10H22N2.C8H15F2N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-5-3-8(9,10)4-6-11/h9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;7H,3-6H2,1-2H3
InChIKeyYSCYIGDDYYABNF-UHFFFAOYSA-N
XLogP4.72
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.80
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine (CID 162000375) is 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine is CC(C)N1CCC(F)(F)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine?
The InChIKey is YSCYIGDDYYABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C10H22N2.C8H15F2N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)11-5-3-8(9,10)4-6-11/h9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;7H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine?
1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine has a molecular weight of 501.80 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperazine;4,4-difluoro-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 162000375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).