2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine

C22H43FN2O — CID 175626690

IUPAC2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)C(C(C)(C)F)C2)CC1
InChIInChI=1S/C22H43FN2O/c1-17(2)25-15-14-24(16-21(25)22(5,6)23)13-7-8-19-9-11-20(12-10-19)26-18(3)4/h17-21H,7-16H2,1-6H3
InChIKeyYSOSXHCFWJDNSC-UHFFFAOYSA-N
MW370.60 g/mol
LogP4.89
Rot. Bonds8

About 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine

2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine (PubChem CID 175626690) has the molecular formula C22H43FN2O and a molecular weight of 370.60 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine
PubChem CID175626690
Molecular FormulaC22H43FN2O
Molecular Weight370.60 g/mol
Exact Mass370.34
IUPAC Name2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)C(C(C)(C)F)C2)CC1
InChIInChI=1S/C22H43FN2O/c1-17(2)25-15-14-24(16-21(25)22(5,6)23)13-7-8-19-9-11-20(12-10-19)26-18(3)4/h17-21H,7-16H2,1-6H3
InChIKeyYSOSXHCFWJDNSC-UHFFFAOYSA-N
XLogP4.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine (CID 175626690) is 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine is CC(C)OC1CCC(CCCN2CCN(C(C)C)C(C(C)(C)F)C2)CC1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine?
The InChIKey is YSOSXHCFWJDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN2O/c1-17(2)25-15-14-24(16-21(25)22(5,6)23)13-7-8-19-9-11-20(12-10-19)26-18(3)4/h17-21H,7-16H2,1-6H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine?
2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine has a molecular weight of 370.60 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]piperazine is sourced from PubChem (CID 175626690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).