2-(2-fluoropropan-2-yl)-4-methylpiperidine

C9H18FN — CID 171096170

IUPAC2-(2-fluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCNC(C(C)(C)F)C1
InChIInChI=1S/C9H18FN/c1-7-4-5-11-8(6-7)9(2,3)10/h7-8,11H,4-6H2,1-3H3
InChIKeyDNYRCUPEOQYSPQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-4-methylpiperidine

2-(2-fluoropropan-2-yl)-4-methylpiperidine (PubChem CID 171096170) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4-methylpiperidine
PubChem CID171096170
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-(2-fluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCNC(C(C)(C)F)C1
InChIInChI=1S/C9H18FN/c1-7-4-5-11-8(6-7)9(2,3)10/h7-8,11H,4-6H2,1-3H3
InChIKeyDNYRCUPEOQYSPQ-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-4-methylpiperidine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4-methylpiperidine (CID 171096170) is 2-(2-fluoropropan-2-yl)-4-methylpiperidine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4-methylpiperidine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4-methylpiperidine is CC1CCNC(C(C)(C)F)C1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4-methylpiperidine?
The InChIKey is DNYRCUPEOQYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7-4-5-11-8(6-7)9(2,3)10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4-methylpiperidine?
2-(2-fluoropropan-2-yl)-4-methylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 171096170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).