1-(2-methylpentyl)-3-(trifluoromethyl)piperidine

C12H22F3N — CID 155261854

IUPAC1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
SMILESCCCC(C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-3-5-10(2)8-16-7-4-6-11(9-16)12(13,14)15/h10-11H,3-9H2,1-2H3
InChIKeyXGODJTLBAXKGIE-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine

1-(2-methylpentyl)-3-(trifluoromethyl)piperidine (PubChem CID 155261854) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
PubChem CID155261854
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
SMILESCCCC(C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-3-5-10(2)8-16-7-4-6-11(9-16)12(13,14)15/h10-11H,3-9H2,1-2H3
InChIKeyXGODJTLBAXKGIE-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
3-bromo-1-(2-methylpentyl)piperidine
CID 80679524
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
3-methyl-N-propyl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]butan-2-amine
CID 114271797
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476
(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 2077827

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine (CID 155261854) is 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine is CCCC(C)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine?
The InChIKey is XGODJTLBAXKGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-3-5-10(2)8-16-7-4-6-11(9-16)12(13,14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine?
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine has a molecular weight of 237.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 155261854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).