1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol

C24H34F2N4O — CID 69453572

IUPAC1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)C1CCN(CCCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C24H34F2N4O/c25-21-14-18(15-22(26)16-21)2-1-9-29-10-6-20(7-11-29)24(31)17-30-12-4-19(5-13-30)23-3-8-27-28-23/h3,8,14-16,19-20,24,31H,1-2,4-7,9-13,17H2,(H,27,28)
InChIKeyWAVUKQXNZQXBKU-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.57
Rot. Bonds8

About 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol

1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 69453572) has the molecular formula C24H34F2N4O and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
PubChem CID69453572
Molecular FormulaC24H34F2N4O
Molecular Weight432.56 g/mol
Exact Mass432.27
IUPAC Name1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)C1CCN(CCCc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C24H34F2N4O/c25-21-14-18(15-22(26)16-21)2-1-9-29-10-6-20(7-11-29)24(31)17-30-12-4-19(5-13-30)23-3-8-27-28-23/h3,8,14-16,19-20,24,31H,1-2,4-7,9-13,17H2,(H,27,28)
InChIKeyWAVUKQXNZQXBKU-UHFFFAOYSA-N
XLogP3.57
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (CID 69453572) is 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is OC(CN1CCC(c2ccn[nH]2)CC1)C1CCN(CCCc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is WAVUKQXNZQXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O/c25-21-14-18(15-22(26)16-21)2-1-9-29-10-6-20(7-11-29)24(31)17-30-12-4-19(5-13-30)23-3-8-27-28-23/h3,8,14-16,19-20,24,31H,1-2,4-7,9-13,17H2,(H,27,28).
What are the key properties of 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 432.56 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 69453572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).