2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol

C24H33N3O2 — CID 45245263

IUPAC2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C24H33N3O2/c28-17-18-29-24-11-5-4-7-21(24)19-25-12-6-10-23(20-25)27-15-13-26(14-16-27)22-8-2-1-3-9-22/h1-5,7-9,11,23,28H,6,10,12-20H2
InChIKeyMFVAXXHAGFZUGI-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.84
Rot. Bonds7

About 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 45245263) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID45245263
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C24H33N3O2/c28-17-18-29-24-11-5-4-7-21(24)19-25-12-6-10-23(20-25)27-15-13-26(14-16-27)22-8-2-1-3-9-22/h1-5,7-9,11,23,28H,6,10,12-20H2
InChIKeyMFVAXXHAGFZUGI-UHFFFAOYSA-N
XLogP2.84
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 45245263) is 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is MFVAXXHAGFZUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-17-18-29-24-11-5-4-7-21(24)19-25-12-6-10-23(20-25)27-15-13-26(14-16-27)22-8-2-1-3-9-22/h1-5,7-9,11,23,28H,6,10,12-20H2.
What are the key properties of 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 395.55 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 45245263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).