3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C14H21F3N2O2 — CID 114489841

IUPAC3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCOC1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)11-3-8-19(9-4-11)13(20)5-10-21-12-1-6-18-7-2-12/h3,12,18H,1-2,4-10H2
InChIKeyTZNFLRITTXBANN-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.87
Rot. Bonds4

About 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 114489841) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID114489841
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCOC1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c15-14(16,17)11-3-8-19(9-4-11)13(20)5-10-21-12-1-6-18-7-2-12/h3,12,18H,1-2,4-10H2
InChIKeyTZNFLRITTXBANN-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486723
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 107487341
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113626761
3-(2,2-difluoroethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 113788491
2-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489867
1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490197
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63876296
N-[2-(cyclopenten-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 106175389
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 113581370
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 114172308
1-(3,6-dihydro-2H-pyridin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 114408945

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 114489841) is 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is O=C(CCOC1CCNCC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is TZNFLRITTXBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c15-14(16,17)11-3-8-19(9-4-11)13(20)5-10-21-12-1-6-18-7-2-12/h3,12,18H,1-2,4-10H2.
What are the key properties of 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 306.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 114489841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).