benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride

C19H23ClN2O2 — CID 75088473

IUPACbenzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2.ClH/c22-19(23-15-17-9-5-2-6-10-17)21-12-11-20-18(14-21)13-16-7-3-1-4-8-16;/h1-10,18,20H,11-15H2;1H
InChIKeyKQHBPBYETAJYMS-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.26
Rot. Bonds4

About benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride

benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride (PubChem CID 75088473) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
PubChem CID75088473
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Namebenzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H22N2O2.ClH/c22-19(23-15-17-9-5-2-6-10-17)21-12-11-20-18(14-21)13-16-7-3-1-4-8-16;/h1-10,18,20H,11-15H2;1H
InChIKeyKQHBPBYETAJYMS-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methylpropyl 3-benzylpiperazine-1-carboxylate
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1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
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1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072570
1-O-benzyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072569
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
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benzyl 3-(pent-4-enoxymethyl)piperazine-1-carboxylate
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2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
benzyl 3-[[bis[(4-methoxyphenyl)methyl]amino]methyl]piperazine-1-carboxylate
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CID 91537627

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride (CID 75088473) is benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is KQHBPBYETAJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c22-19(23-15-17-9-5-2-6-10-17)21-12-11-20-18(14-21)13-16-7-3-1-4-8-16;/h1-10,18,20H,11-15H2;1H.
What are the key properties of benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride?
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 75088473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).