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

C12H19F3N2 — CID 112737125

IUPAC1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C[C@@H]2CCCCN2)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h4,11,16H,1-3,5-9H2/t11-/m0/s1
InChIKeyFBLCBZGUMWBFFY-NSHDSACASA-N
MW248.29 g/mol
LogP2.32
Rot. Bonds2

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

1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 112737125) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID112737125
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C[C@@H]2CCCCN2)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h4,11,16H,1-3,5-9H2/t11-/m0/s1
InChIKeyFBLCBZGUMWBFFY-NSHDSACASA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.32
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-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404
(1S,2S)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429440
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134459118
1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280108
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 146526665
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
CID 163520633

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 112737125) is 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(C[C@@H]2CCCCN2)CC1.
What is the InChIKey of 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FBLCBZGUMWBFFY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19F3N2/c13-12(14,15)10-4-7-17(8-5-10)9-11-3-1-2-6-16-11/h4,11,16H,1-3,5-9H2/t11-/m0/s1.
What are the key properties of 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 248.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-piperidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 112737125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).