1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine

C18H28F3N3O — CID 155721132

IUPAC1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ccncc1N1CCCCC1
InChIInChI=1S/C11H13F3N2.C7H15NO/c12-11(13,14)9-4-5-15-8-10(9)16-6-2-1-3-7-16;1-6-5-7(9)3-4-8(6)2/h4-5,8H,1-3,6-7H2;6-7,9H,3-5H2,1-2H3
InChIKeyNOUVIKLXCWECJL-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.55
Rot. Bonds1

About 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine

1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine (PubChem CID 155721132) has the molecular formula C18H28F3N3O and a molecular weight of 359.44 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine
PubChem CID155721132
Molecular FormulaC18H28F3N3O
Molecular Weight359.44 g/mol
Exact Mass359.22
IUPAC Name1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ccncc1N1CCCCC1
InChIInChI=1S/C11H13F3N2.C7H15NO/c12-11(13,14)9-4-5-15-8-10(9)16-6-2-1-3-7-16;1-6-5-7(9)3-4-8(6)2/h4-5,8H,1-3,6-7H2;6-7,9H,3-5H2,1-2H3
InChIKeyNOUVIKLXCWECJL-UHFFFAOYSA-N
XLogP3.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-Methylbenzyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 16192296
2-[1-Isopropyl-4-(4-pyridinylmethyl)-2-piperazinyl]ethanol
CID 16187304
2-[1-(2,2-Dimethylpropyl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 23723941
1-(Pyridin-3-yl)piperidin-4-ol
CID 83482153
2-[1-(3-Methyl-2-buten-1-yl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 16192239
2-[1-Cyclopentyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16191614
3-[4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidin-1-yl]pentan-2-ol
CID 76329433
2-methyl-1-[4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidin-1-yl]propan-2-ol
CID 76336701
3-[4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidin-1-yl]butan-2-ol
CID 76336703
3-methyl-1-[4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidin-1-yl]butan-2-ol
CID 76336705
(1-(Pyridin-3-yl)piperidin-4-yl)methanol
CID 71721210
2-[1-(1-Isopropylpiperidin-4-yl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 16190756

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine (CID 155721132) is 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine is CC1CC(O)CCN1C.FC(F)(F)c1ccncc1N1CCCCC1.
What is the InChIKey of 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The InChIKey is NOUVIKLXCWECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.C7H15NO/c12-11(13,14)9-4-5-15-8-10(9)16-6-2-1-3-7-16;1-6-5-7(9)3-4-8(6)2/h4-5,8H,1-3,6-7H2;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine?
1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine has a molecular weight of 359.44 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 155721132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).