1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

C21H39F3N2 — CID 155121592

IUPAC1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)C1CCN(C(C)C)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C21H39F3N2/c1-16(2)26-13-9-20(10-14-26)18(4)6-5-17(3)19-7-11-25(12-8-19)15-21(22,23)24/h16-20H,5-15H2,1-4H3
InChIKeyYVTMGEDSMRWUFQ-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.43
Rot. Bonds7

About 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (PubChem CID 155121592) has the molecular formula C21H39F3N2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
PubChem CID155121592
Molecular FormulaC21H39F3N2
Molecular Weight376.55 g/mol
Exact Mass376.31
IUPAC Name1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)C1CCN(C(C)C)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C21H39F3N2/c1-16(2)26-13-9-20(10-14-26)18(4)6-5-17(3)19-7-11-25(12-8-19)15-21(22,23)24/h16-20H,5-15H2,1-4H3
InChIKeyYVTMGEDSMRWUFQ-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Difluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58395152
3,9-Dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
CID 58479339
1-Methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine
CID 70974053
(2R)-2-(fluoromethyl)-4-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-1-methylpiperidine
CID 91486563
2-[2-(4,4-Difluorocyclohexyl)-2-(4-fluoro-4-methylcyclohexyl)ethyl]-1-methylpiperidine
CID 121277595
1-Methyl-2-(1,1,1-trifluoropentan-3-yl)piperidine
CID 123530279
4,4-Difluoro-1-(3-propan-2-ylcyclohexyl)piperidine
CID 123593620
4,4-Difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
CID 126708550
4,4-Difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
CID 129226745
1-Tert-butyl-3,3-difluoro-4-[2-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 130179487
4-Tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130219154
1-Propan-2-yl-4-[5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 132011540

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (CID 155121592) is 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is CC(CCC(C)C1CCN(C(C)C)CC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The InChIKey is YVTMGEDSMRWUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39F3N2/c1-16(2)26-13-9-20(10-14-26)18(4)6-5-17(3)19-7-11-25(12-8-19)15-21(22,23)24/h16-20H,5-15H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine has a molecular weight of 376.55 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is sourced from PubChem (CID 155121592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).