2-(3,3,3-trifluoro-2-methoxypropyl)piperidine

C9H16F3NO — CID 84734554

IUPAC2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
SMILESCOC(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-7-4-2-3-5-13-7/h7-8,13H,2-6H2,1H3
InChIKeyCJCHEXIYMNLQQC-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds3

About 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine

2-(3,3,3-trifluoro-2-methoxypropyl)piperidine (PubChem CID 84734554) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
PubChem CID84734554
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
SMILESCOC(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-7-4-2-3-5-13-7/h7-8,13H,2-6H2,1H3
InChIKeyCJCHEXIYMNLQQC-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
CID 82711010
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
CID 66275246
N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158626
(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
CID 11746013
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
CID 142059557
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine?
The IUPAC name of 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine (CID 84734554) is 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine?
The canonical SMILES for 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine is COC(CC1CCCCN1)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine?
The InChIKey is CJCHEXIYMNLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-14-8(9(10,11)12)6-7-4-2-3-5-13-7/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine?
2-(3,3,3-trifluoro-2-methoxypropyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-methoxypropyl)piperidine is sourced from PubChem (CID 84734554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).