ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride

C14H21ClN2O2 — CID 53487540

IUPACethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CNCCN1Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-18-14(17)13-10-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-7,13,15H,2,8-11H2,1H3;1H
InChIKeyJDSDILWJTQGNOF-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.45
Rot. Bonds4

About ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride

ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride (PubChem CID 53487540) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
PubChem CID53487540
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nameethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CNCCN1Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-2-18-14(17)13-10-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-7,13,15H,2,8-11H2,1H3;1H
InChIKeyJDSDILWJTQGNOF-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
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methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
ethyl 1-[(3-fluoro-4-hydroxyphenyl)methyl]piperazine-2-carboxylate
CID 107692096
ethyl 1-(1-benzofuran-3-ylmethyl)piperazine-2-carboxylate
CID 80702284
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819
ethyl 1-[(5-bromo-2-hydroxyphenyl)methyl]piperazine-2-carboxylate
CID 104869656
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
ethyl 1-[(4,5-dibromothiophen-2-yl)methyl]piperazine-2-carboxylate
CID 102841745
ethyl 1-(3-chloroprop-2-enyl)piperazine-2-carboxylate
CID 77074295

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride (CID 53487540) is ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride is CCOC(=O)C1CNCCN1Cc1ccccc1.Cl.
What is the InChIKey of ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
The InChIKey is JDSDILWJTQGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-2-18-14(17)13-10-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-7,13,15H,2,8-11H2,1H3;1H.
What are the key properties of ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride?
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 53487540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).