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

C13H21F3N2 — CID 106741221

IUPAC1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CC(CN2CC=C(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C13H21F3N2/c1-10-8-11(2-5-17-10)9-18-6-3-12(4-7-18)13(14,15)16/h3,10-11,17H,2,4-9H2,1H3
InChIKeyUYXVXCFGQHMGTA-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.57
Rot. Bonds2

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

1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 106741221) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID106741221
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CC(CN2CC=C(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C13H21F3N2/c1-10-8-11(2-5-17-10)9-18-6-3-12(4-7-18)13(14,15)16/h3,10-11,17H,2,4-9H2,1H3
InChIKeyUYXVXCFGQHMGTA-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.57
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

1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
1-N-(3,3-difluorobutan-2-yl)-1,2,8,8a-tetrahydronaphthalene-1,8-diamine
CID 89636877
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
1-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 141206326
1-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)-2H-pyridine
CID 141738648
(4,6-Difluorocyclohexa-2,4-dien-1-yl)-(1-methylpiperidin-4-yl)methanamine
CID 144474401
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroisoquinoline
CID 148066747
4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
CID 154950790
3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine
CID 156517873
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 106741221) is 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC1CC(CN2CC=C(C(F)(F)F)CC2)CCN1.
What is the InChIKey of 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UYXVXCFGQHMGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-10-8-11(2-5-17-10)9-18-6-3-12(4-7-18)13(14,15)16/h3,10-11,17H,2,4-9H2,1H3.
What are the key properties of 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 262.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106741221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).