4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol

C25H29N5O — CID 121400732

IUPAC4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncccc2N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C25H29N5O/c31-25(21-5-2-1-3-6-21)10-15-30(16-11-25)24-23(7-4-12-27-24)29-19-17-28(18-20-29)22-8-13-26-14-9-22/h1-9,12-14,31H,10-11,15-20H2
InChIKeyZYIZYBWEFFMPEF-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.29
Rot. Bonds4

About 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol

4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol (PubChem CID 121400732) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
PubChem CID121400732
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncccc2N2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C25H29N5O/c31-25(21-5-2-1-3-6-21)10-15-30(16-11-25)24-23(7-4-12-27-24)29-19-17-28(18-20-29)22-8-13-26-14-9-22/h1-9,12-14,31H,10-11,15-20H2
InChIKeyZYIZYBWEFFMPEF-UHFFFAOYSA-N
XLogP3.29
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol (CID 121400732) is 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol is OC1(c2ccccc2)CCN(c2ncccc2N2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is ZYIZYBWEFFMPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c31-25(21-5-2-1-3-6-21)10-15-30(16-11-25)24-23(7-4-12-27-24)29-19-17-28(18-20-29)22-8-13-26-14-9-22/h1-9,12-14,31H,10-11,15-20H2.
What are the key properties of 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol?
4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 415.54 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 121400732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).