1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol

C15H19F6N3O — CID 150127327

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1
InChIInChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3
InChIKeyFAMRHTHKHOBATR-UHFFFAOYSA-N
MW371.33 g/mol
LogP2.76
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol (PubChem CID 150127327) has the molecular formula C15H19F6N3O and a molecular weight of 371.33 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
PubChem CID150127327
Molecular FormulaC15H19F6N3O
Molecular Weight371.33 g/mol
Exact Mass371.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1
InChIInChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3
InChIKeyFAMRHTHKHOBATR-UHFFFAOYSA-N
XLogP2.76
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol with MolForge

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Related Compounds

1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771
1-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenyl]-1,4-diazepane
CID 87070835
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
1-(5-propyl-1H-pyrazol-3-yl)piperazine
CID 83698652
4-piperazin-1-yl-2-propyl-8-(trifluoromethyl)quinoline
CID 121236577
5-piperazin-1-yl-3-propyl-1,2,4-triazine
CID 116823993
3-piperazin-1-yl-5-propyl-1,2-oxazole
CID 83698825
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
2-(4-piperazin-1-yl-2-pyridinyl)propan-2-ol
CID 146276335
2-[4-(1,4-diazepan-1-yl)-3-prop-1-enylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87066848
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 141447757

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol (CID 150127327) is 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol?
The InChIKey is FAMRHTHKHOBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol has a molecular weight of 371.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 150127327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).