ethyl 4-piperazin-1-ylbutanoate;hydrochloride

C10H21ClN2O2 — CID 70084996

IUPACethyl 4-piperazin-1-ylbutanoate;hydrochloride
SMILESCCOC(=O)CCCN1CCNCC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12;/h11H,2-9H2,1H3;1H
InChIKeyVHCQDESYWGDDRE-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.66
Rot. Bonds5

About ethyl 4-piperazin-1-ylbutanoate;hydrochloride

ethyl 4-piperazin-1-ylbutanoate;hydrochloride (PubChem CID 70084996) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is ethyl 4-piperazin-1-ylbutanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-piperazin-1-ylbutanoate;hydrochloride
PubChem CID70084996
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nameethyl 4-piperazin-1-ylbutanoate;hydrochloride
SMILESCCOC(=O)CCCN1CCNCC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12;/h11H,2-9H2,1H3;1H
InChIKeyVHCQDESYWGDDRE-UHFFFAOYSA-N
XLogP0.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperazin-1-ylbutanoate;hydrochloride?
The IUPAC name of ethyl 4-piperazin-1-ylbutanoate;hydrochloride (CID 70084996) is ethyl 4-piperazin-1-ylbutanoate;hydrochloride.
What is the SMILES notation for ethyl 4-piperazin-1-ylbutanoate;hydrochloride?
The canonical SMILES for ethyl 4-piperazin-1-ylbutanoate;hydrochloride is CCOC(=O)CCCN1CCNCC1.Cl.
What is the InChIKey of ethyl 4-piperazin-1-ylbutanoate;hydrochloride?
The InChIKey is VHCQDESYWGDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-2-14-10(13)4-3-7-12-8-5-11-6-9-12;/h11H,2-9H2,1H3;1H.
What are the key properties of ethyl 4-piperazin-1-ylbutanoate;hydrochloride?
ethyl 4-piperazin-1-ylbutanoate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperazin-1-ylbutanoate;hydrochloride is sourced from PubChem (CID 70084996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).