2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 83982971

IUPAC2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-14-6-4-5-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyNOXYXDZBKKYJNP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds2

About 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol

2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83982971) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID83982971
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-3-14-6-4-5-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyNOXYXDZBKKYJNP-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
CID 105460001
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635317

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol (CID 83982971) is 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol is CCN1CCCC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NOXYXDZBKKYJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-14-6-4-5-8(7-14)9(2,15)10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83982971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).