2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride

C15H25Cl2N3O2 — CID 3088680

IUPAC2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CN1CCN(c2ccccc2)C(CCCO)C1
InChIInChI=1S/C15H23N3O2.2ClH/c16-15(20)12-17-8-9-18(13-5-2-1-3-6-13)14(11-17)7-4-10-19;;/h1-3,5-6,14,19H,4,7-12H2,(H2,16,20);2*1H
InChIKeyXEYXUNYSDZWNKC-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.28
Rot. Bonds6

About 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride

2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride (PubChem CID 3088680) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride
PubChem CID3088680
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(=O)CN1CCN(c2ccccc2)C(CCCO)C1
InChIInChI=1S/C15H23N3O2.2ClH/c16-15(20)12-17-8-9-18(13-5-2-1-3-6-13)14(11-17)7-4-10-19;;/h1-3,5-6,14,19H,4,7-12H2,(H2,16,20);2*1H
InChIKeyXEYXUNYSDZWNKC-UHFFFAOYSA-N
XLogP1.28
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride (CID 3088680) is 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.NC(=O)CN1CCN(c2ccccc2)C(CCCO)C1.
What is the InChIKey of 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is XEYXUNYSDZWNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c16-15(20)12-17-8-9-18(13-5-2-1-3-6-13)14(11-17)7-4-10-19;;/h1-3,5-6,14,19H,4,7-12H2,(H2,16,20);2*1H.
What are the key properties of 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride?
2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 3088680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).