4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol

C12H19F3N2O — CID 114489984

IUPAC4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol
SMILESOC1(CN2CC=C(C(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)10-1-7-17(8-2-10)9-11(18)3-5-16-6-4-11/h1,16,18H,2-9H2
InChIKeyVHUPCANEJZEAGS-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.30
Rot. Bonds2

About 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol

4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol (PubChem CID 114489984) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol
PubChem CID114489984
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol
SMILESOC1(CN2CC=C(C(F)(F)F)CC2)CCNCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)10-1-7-17(8-2-10)9-11(18)3-5-16-6-4-11/h1,16,18H,2-9H2
InChIKeyVHUPCANEJZEAGS-UHFFFAOYSA-N
XLogP1.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3E)-4-[amino(difluoro)methyl]-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-ol
CID 143151017
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460137
4-{[(1,5-Dimethylhex-4-en-1-yl)amino]methyl}-1-methylpiperidin-4-ol
CID 131903414

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol (CID 114489984) is 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol is OC1(CN2CC=C(C(F)(F)F)CC2)CCNCC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol?
The InChIKey is VHUPCANEJZEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)10-1-7-17(8-2-10)9-11(18)3-5-16-6-4-11/h1,16,18H,2-9H2.
What are the key properties of 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol?
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol has a molecular weight of 264.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 114489984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).