1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol

C12H21F3N2O — CID 119931795

IUPAC1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(C(F)(F)F)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)11(18)4-1-7-17(9-11)8-10-2-5-16-6-3-10/h10,16,18H,1-9H2
InChIKeyVBONEOBMLZIASH-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.38
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol

1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol (PubChem CID 119931795) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
PubChem CID119931795
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
SMILESOC1(C(F)(F)F)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)11(18)4-1-7-17(9-11)8-10-2-5-16-6-3-10/h10,16,18H,1-9H2
InChIKeyVBONEOBMLZIASH-UHFFFAOYSA-N
XLogP1.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129320792
[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 120857967
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 126774942
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
1-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)piperidin-3-ol
CID 136516864
1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
CID 119932289
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol (CID 119931795) is 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol is OC1(C(F)(F)F)CCCN(CC2CCNCC2)C1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol?
The InChIKey is VBONEOBMLZIASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)11(18)4-1-7-17(9-11)8-10-2-5-16-6-3-10/h10,16,18H,1-9H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol?
1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol has a molecular weight of 266.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol is sourced from PubChem (CID 119931795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).