1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine

C18H33F2N3 — CID 156508519

IUPAC1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CC2CC(C)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H33F2N3/c1-14(2)21-8-10-23(11-9-21)17-13-16(17)12-15(3)22-6-4-18(19,20)5-7-22/h14-17H,4-13H2,1-3H3
InChIKeyWLQVHIGTQMSUAJ-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine

1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine (PubChem CID 156508519) has the molecular formula C18H33F2N3 and a molecular weight of 329.48 g/mol. Its IUPAC name is 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine
PubChem CID156508519
Molecular FormulaC18H33F2N3
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CC2CC(C)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H33F2N3/c1-14(2)21-8-10-23(11-9-21)17-13-16(17)12-15(3)22-6-4-18(19,20)5-7-22/h14-17H,4-13H2,1-3H3
InChIKeyWLQVHIGTQMSUAJ-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine (CID 156508519) is 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CC2CC(C)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine?
The InChIKey is WLQVHIGTQMSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F2N3/c1-14(2)21-8-10-23(11-9-21)17-13-16(17)12-15(3)22-6-4-18(19,20)5-7-22/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine?
1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine has a molecular weight of 329.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,4-difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 156508519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).