1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine

C11H20F3N — CID 58877740

IUPAC1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-9(5-7-15)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyDIXSGVMURKGSMT-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine

1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine (PubChem CID 58877740) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
PubChem CID58877740
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-9(5-7-15)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyDIXSGVMURKGSMT-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
CID 142488201
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine (CID 58877740) is 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine is CC(C)(C)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine?
The InChIKey is DIXSGVMURKGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-9(5-7-15)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine?
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 58877740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).