2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

C21H42FN3 — CID 154669985

IUPAC2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCCC(F)C1CN(CCC2CCN(C(C)C)CC2)CCN1CC(C)C
InChIInChI=1S/C21H42FN3/c1-6-20(22)21-16-23(13-14-25(21)15-17(2)3)10-7-19-8-11-24(12-9-19)18(4)5/h17-21H,6-16H2,1-5H3
InChIKeyLBVNPPIVOKARBU-UHFFFAOYSA-N
MW355.59 g/mol
LogP3.89
Rot. Bonds8

About 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (PubChem CID 154669985) has the molecular formula C21H42FN3 and a molecular weight of 355.59 g/mol. Its IUPAC name is 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
PubChem CID154669985
Molecular FormulaC21H42FN3
Molecular Weight355.59 g/mol
Exact Mass355.34
IUPAC Name2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCCC(F)C1CN(CCC2CCN(C(C)C)CC2)CCN1CC(C)C
InChIInChI=1S/C21H42FN3/c1-6-20(22)21-16-23(13-14-25(21)15-17(2)3)10-7-19-8-11-24(12-9-19)18(4)5/h17-21H,6-16H2,1-5H3
InChIKeyLBVNPPIVOKARBU-UHFFFAOYSA-N
XLogP3.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (CID 154669985) is 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is CCC(F)C1CN(CCC2CCN(C(C)C)CC2)CCN1CC(C)C.
What is the InChIKey of 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is LBVNPPIVOKARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42FN3/c1-6-20(22)21-16-23(13-14-25(21)15-17(2)3)10-7-19-8-11-24(12-9-19)18(4)5/h17-21H,6-16H2,1-5H3.
What are the key properties of 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 355.59 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 154669985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).