1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine

C11H21F2N — CID 59001046

IUPAC1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-9(2)7-10-3-5-14(6-4-10)8-11(12)13/h9-11H,3-8H2,1-2H3
InChIKeyQOLLTOXDDPBBAP-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine

1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine (PubChem CID 59001046) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine
PubChem CID59001046
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N/c1-9(2)7-10-3-5-14(6-4-10)8-11(12)13/h9-11H,3-8H2,1-2H3
InChIKeyQOLLTOXDDPBBAP-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Hexyl-4-methylpiperidine
CID 4525600
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
3-Ethyl-1-methylpiperidine
CID 17764459
(3R)-1-(2,2-dimethylpropyl)-3-ethyl-3-fluoropiperidine
CID 135037327
1-(2-Methylhexyl)piperidine
CID 89884259
(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695
(3S)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541696
1-Methyl-3-(trifluoromethyl)piperidine
CID 4486325
N-Methyl-4-trifluoromethylpiperidine
CID 18711403
4-(3-Fluoropropyl)-1-methylpiperidine
CID 18723181
1-(4-Fluorocyclohexyl)-4-propylpiperidine
CID 20268636
1-(4-Methylpentyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 20811798

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine (CID 59001046) is 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine is CC(C)CC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine?
The InChIKey is QOLLTOXDDPBBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-9(2)7-10-3-5-14(6-4-10)8-11(12)13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine?
1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 59001046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).