1-(1,1-difluoropropan-2-yl)-4-methylpiperidine

C9H17F2N — CID 126716416

IUPAC1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C)C(F)F)CC1
InChIInChI=1S/C9H17F2N/c1-7-3-5-12(6-4-7)8(2)9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyNDOMAZXSMPKQGI-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds2

About 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine

1-(1,1-difluoropropan-2-yl)-4-methylpiperidine (PubChem CID 126716416) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
PubChem CID126716416
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C)C(F)F)CC1
InChIInChI=1S/C9H17F2N/c1-7-3-5-12(6-4-7)8(2)9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyNDOMAZXSMPKQGI-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine?
The IUPAC name of 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine (CID 126716416) is 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine?
The canonical SMILES for 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine is CC1CCN(C(C)C(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine?
The InChIKey is NDOMAZXSMPKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7-3-5-12(6-4-7)8(2)9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine?
1-(1,1-difluoropropan-2-yl)-4-methylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 126716416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).