1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C14H23F3N2 — CID 114490127

IUPAC1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H23F3N2/c1-2-13(6-3-7-18-10-13)11-19-8-4-12(5-9-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3
InChIKeyBCOVLOPMSNYGRN-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.96
Rot. Bonds3

About 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490127) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490127
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H23F3N2/c1-2-13(6-3-7-18-10-13)11-19-8-4-12(5-9-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3
InChIKeyBCOVLOPMSNYGRN-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 105570320
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106982021
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
1-[[(3S)-piperidin-3-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 112737126
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
1-(2-piperidin-3-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591662
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679
1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591684

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490127) is 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCC1(CN2CC=C(C(F)(F)F)CC2)CCCNC1.
What is the InChIKey of 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BCOVLOPMSNYGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-2-13(6-3-7-18-10-13)11-19-8-4-12(5-9-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3.
What are the key properties of 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 276.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).