1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C14H23F3N2 — CID 114490184

IUPAC1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCC2CCCCN2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-6-10-19(11-7-12)9-3-5-13-4-1-2-8-18-13/h6,13,18H,1-5,7-11H2
InChIKeyPBKZPGZELWBWJL-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490184) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490184
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCC2CCCCN2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-6-10-19(11-7-12)9-3-5-13-4-1-2-8-18-13/h6,13,18H,1-5,7-11H2
InChIKeyPBKZPGZELWBWJL-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.10
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-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
(Z)-2-N-[(1R)-4-ethylcyclohex-3-en-1-yl]-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 118984030
3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine
CID 156749616
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
CID 163520633
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 164096192
(2S,4R)-2-(3,6-difluorocyclohexa-1,3-dien-1-yl)-N-(2,2-difluoroethyl)piperidin-4-amine
CID 165141698
2-(3,6-Difluorocyclohexa-1,5-dien-1-yl)piperidine
CID 166957055
(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
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766392
1-(cyclohexen-1-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 55034510

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490184) is 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CCCC2CCCCN2)CC1.
What is the InChIKey of 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PBKZPGZELWBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)12-6-10-19(11-7-12)9-3-5-13-4-1-2-8-18-13/h6,13,18H,1-5,7-11H2.
What are the key properties of 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 276.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-2-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).