1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol

C16H30F3N3O — CID 111799262

IUPAC1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)CN2CCN(C(C)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H30F3N3O/c1-13-3-5-20(6-4-13)11-15(23)12-21-7-9-22(10-8-21)14(2)16(17,18)19/h13-15,23H,3-12H2,1-2H3
InChIKeyFVYXSKHDIPEARC-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.65
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol

1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 111799262) has the molecular formula C16H30F3N3O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID111799262
Molecular FormulaC16H30F3N3O
Molecular Weight337.43 g/mol
Exact Mass337.23
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)CN2CCN(C(C)C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H30F3N3O/c1-13-3-5-20(6-4-13)11-15(23)12-21-7-9-22(10-8-21)14(2)16(17,18)19/h13-15,23H,3-12H2,1-2H3
InChIKeyFVYXSKHDIPEARC-UHFFFAOYSA-N
XLogP1.65
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
CID 111799260
(2S)-1-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 95309026
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
N-[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]-N-methylacetamide
CID 111106124
1-(4-fluoropiperidin-1-yl)-3-(4-methylpiperidin-1-yl)oxypropan-2-ol
CID 171852942
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol (CID 111799262) is 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol is CC1CCN(CC(O)CN2CCN(C(C)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is FVYXSKHDIPEARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N3O/c1-13-3-5-20(6-4-13)11-15(23)12-21-7-9-22(10-8-21)14(2)16(17,18)19/h13-15,23H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 337.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 111799262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).