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

C14H23F3N2 — CID 114490142

IUPAC1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1CCNC(CN2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2/c1-2-11-3-6-18-13(9-11)10-19-7-4-12(5-8-19)14(15,16)17/h4,11,13,18H,2-3,5-10H2,1H3
InChIKeyUCBKMAVQIPBUNS-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.96
Rot. Bonds3

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

1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490142) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490142
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1CCNC(CN2CC=C(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2/c1-2-11-3-6-18-13(9-11)10-19-7-4-12(5-8-19)14(15,16)17/h4,11,13,18H,2-3,5-10H2,1H3
InChIKeyUCBKMAVQIPBUNS-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

1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
N-methyl-4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123791907
1-[2-[3-(Trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
CID 129042810
1-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)-2H-pyridine
CID 141738648
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4,4a,5-hexahydroisoquinoline
CID 148066747
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
CID 163520633
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169114344
2-(4,4-Difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169751451
1-[1-[3-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]piperazine
CID 173168578
4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
CID 174047146
2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
CID 176943362

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490142) is 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCC1CCNC(CN2CC=C(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UCBKMAVQIPBUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-2-11-3-6-18-13(9-11)10-19-7-4-12(5-8-19)14(15,16)17/h4,11,13,18H,2-3,5-10H2,1H3.
What are the key properties of 1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(4-ethylpiperidin-2-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-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).