1-propyl-3-(trifluoromethyl)piperidin-3-ol

C9H16F3NO — CID 175945358

IUPAC1-propyl-3-(trifluoromethyl)piperidin-3-ol
SMILESCCCN1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-5-13-6-3-4-8(14,7-13)9(10,11)12/h14H,2-7H2,1H3
InChIKeyDKTCZGQKYQHWDX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds2

About 1-propyl-3-(trifluoromethyl)piperidin-3-ol

1-propyl-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 175945358) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-propyl-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-propyl-3-(trifluoromethyl)piperidin-3-ol
PubChem CID175945358
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-propyl-3-(trifluoromethyl)piperidin-3-ol
SMILESCCCN1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-2-5-13-6-3-4-8(14,7-13)9(10,11)12/h14H,2-7H2,1H3
InChIKeyDKTCZGQKYQHWDX-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
3-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 126774942
3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
CID 131048262
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 136516864
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
CID 119931795
4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
CID 79124628
1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 138032720
6-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]hexan-3-one
CID 112737680

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-propyl-3-(trifluoromethyl)piperidin-3-ol (CID 175945358) is 1-propyl-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-propyl-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-propyl-3-(trifluoromethyl)piperidin-3-ol is CCCN1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-propyl-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is DKTCZGQKYQHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-5-13-6-3-4-8(14,7-13)9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 1-propyl-3-(trifluoromethyl)piperidin-3-ol?
1-propyl-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 211.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 175945358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).