1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine

C27H38F3N3 — CID 141363970

IUPAC1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine
SMILESCN1C(CCN2CCCCC2)=CC(c2ccc(C(F)(F)F)cc2)C=C1CCN1CCCCC1
InChIInChI=1S/C27H38F3N3/c1-31-25(12-18-32-14-4-2-5-15-32)20-23(22-8-10-24(11-9-22)27(28,29)30)21-26(31)13-19-33-16-6-3-7-17-33/h8-11,20-21,23H,2-7,12-19H2,1H3
InChIKeyDCUJSKCHBGMNRP-UHFFFAOYSA-N
MW461.62 g/mol
LogP6.25
Rot. Bonds7

About 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine

1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine (PubChem CID 141363970) has the molecular formula C27H38F3N3 and a molecular weight of 461.62 g/mol. Its IUPAC name is 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine.

Molecular Properties

Compound Name1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine
PubChem CID141363970
Molecular FormulaC27H38F3N3
Molecular Weight461.62 g/mol
Exact Mass461.30
IUPAC Name1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine
SMILESCN1C(CCN2CCCCC2)=CC(c2ccc(C(F)(F)F)cc2)C=C1CCN1CCCCC1
InChIInChI=1S/C27H38F3N3/c1-31-25(12-18-32-14-4-2-5-15-32)20-23(22-8-10-24(11-9-22)27(28,29)30)21-26(31)13-19-33-16-6-3-7-17-33/h8-11,20-21,23H,2-7,12-19H2,1H3
InChIKeyDCUJSKCHBGMNRP-UHFFFAOYSA-N
XLogP6.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.62
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-[4-(2-Piperidin-1-ylethyl)phenyl]phenyl]ethyl]piperidine
CID 44414393
4-Methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine
CID 44588278
US11214540, Example 30
CID 142475292
N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N,1-dimethyl-4-piperidinamine
CID 45190213
1-Propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 57387303
1'-(4-Phenylcyclohexyl)-1,4'-bipiperidine
CID 1375643
1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 145946034
1-Propyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 145864201
(4S)-1-propyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-2H-pyridine
CID 145864202
4-Benzyl-1'-propyl-1,4'-bipiperidine
CID 1378402
N-({1-[2-(3-fluorophenyl)ethyl]-4-piperidinyl}methyl)-1-isopropyl-N-methyl-4-piperidinamine
CID 30852130
1-ethyl-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]piperidin-4-amine
CID 45191785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine?
The IUPAC name of 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine (CID 141363970) is 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine.
What is the SMILES notation for 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine?
The canonical SMILES for 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine is CN1C(CCN2CCCCC2)=CC(c2ccc(C(F)(F)F)cc2)C=C1CCN1CCCCC1.
What is the InChIKey of 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine?
The InChIKey is DCUJSKCHBGMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F3N3/c1-31-25(12-18-32-14-4-2-5-15-32)20-23(22-8-10-24(11-9-22)27(28,29)30)21-26(31)13-19-33-16-6-3-7-17-33/h8-11,20-21,23H,2-7,12-19H2,1H3.
What are the key properties of 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine?
1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine has a molecular weight of 461.62 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-bis(2-piperidin-1-ylethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine is sourced from PubChem (CID 141363970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).