1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride

C15H31Cl2N3O2 — CID 71783365

IUPAC1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18;;/h14,19H,2-13H2,1H3;2*1H
InChIKeyFCTJZPBIXFBYNC-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.23
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride

1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 71783365) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID71783365
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18;;/h14,19H,2-13H2,1H3;2*1H
InChIKeyFCTJZPBIXFBYNC-UHFFFAOYSA-N
XLogP1.23
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride (CID 71783365) is 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride is CC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is FCTJZPBIXFBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18;;/h14,19H,2-13H2,1H3;2*1H.
What are the key properties of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride?
1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 71783365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).