[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone

C21H26N2O3 — CID 16801170

IUPAC[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19/h1-10,20,24H,11-17H2
InChIKeyQDUJZGHCKXPASV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.02
Rot. Bonds7

About [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone

[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone (PubChem CID 16801170) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone
PubChem CID16801170
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19/h1-10,20,24H,11-17H2
InChIKeyQDUJZGHCKXPASV-UHFFFAOYSA-N
XLogP2.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone (CID 16801170) is [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is QDUJZGHCKXPASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19/h1-10,20,24H,11-17H2.
What are the key properties of [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone?
[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 354.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 16801170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).