1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine

C13H25F2N3 — CID 170386691

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H25F2N3/c1-11(2)17-6-8-18(9-7-17)12-4-5-16(3)10-13(12,14)15/h11-12H,4-10H2,1-3H3
InChIKeyQCJDZSOBJCDTLM-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.35
Rot. Bonds2

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine

1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine (PubChem CID 170386691) has the molecular formula C13H25F2N3 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine
PubChem CID170386691
Molecular FormulaC13H25F2N3
Molecular Weight261.36 g/mol
Exact Mass261.20
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C13H25F2N3/c1-11(2)17-6-8-18(9-7-17)12-4-5-16(3)10-13(12,14)15/h11-12H,4-10H2,1-3H3
InChIKeyQCJDZSOBJCDTLM-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine (CID 170386691) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The InChIKey is QCJDZSOBJCDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3/c1-11(2)17-6-8-18(9-7-17)12-4-5-16(3)10-13(12,14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 261.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 170386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).