5-(difluoromethyl)-2-methylpiperidine

C7H13F2N — CID 105429324

IUPAC5-(difluoromethyl)-2-methylpiperidine
SMILESCC1CCC(C(F)F)CN1
InChIInChI=1S/C7H13F2N/c1-5-2-3-6(4-10-5)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyYNBPCYXUWWCTTE-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.64
Rot. Bonds1

About 5-(difluoromethyl)-2-methylpiperidine

5-(difluoromethyl)-2-methylpiperidine (PubChem CID 105429324) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methylpiperidine
PubChem CID105429324
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name5-(difluoromethyl)-2-methylpiperidine
SMILESCC1CCC(C(F)F)CN1
InChIInChI=1S/C7H13F2N/c1-5-2-3-6(4-10-5)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyYNBPCYXUWWCTTE-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5R)-5-(difluoromethyl)-2-methylpiperidine
CID 155904689
(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
CID 178147486
2,5-dimethylpiperidine;hydrochloride
CID 55286237
(3R,6S)-6-methylpiperidin-3-amine
CID 124581989
6-methylpiperidin-3-amine;hydrochloride
CID 170782005
1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
CID 167456625
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
7-fluoro-2-methylazocane
CID 178025947
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
N-cyclopropyl-N,6-dimethylpiperidin-3-amine
CID 130855788

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methylpiperidine?
The IUPAC name of 5-(difluoromethyl)-2-methylpiperidine (CID 105429324) is 5-(difluoromethyl)-2-methylpiperidine.
What is the SMILES notation for 5-(difluoromethyl)-2-methylpiperidine?
The canonical SMILES for 5-(difluoromethyl)-2-methylpiperidine is CC1CCC(C(F)F)CN1.
What is the InChIKey of 5-(difluoromethyl)-2-methylpiperidine?
The InChIKey is YNBPCYXUWWCTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5-2-3-6(4-10-5)7(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-methylpiperidine?
5-(difluoromethyl)-2-methylpiperidine has a molecular weight of 149.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methylpiperidine is sourced from PubChem (CID 105429324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).