benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate

C15H22N2O2 — CID 71023012

IUPACbenzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-3-16-9-10-17(13(2)11-16)15(18)19-12-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/t13-/m0/s1
InChIKeyQKVNNHHZKMAVLC-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.35
Rot. Bonds3

About benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate

benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate (PubChem CID 71023012) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
PubChem CID71023012
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-3-16-9-10-17(13(2)11-16)15(18)19-12-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/t13-/m0/s1
InChIKeyQKVNNHHZKMAVLC-ZDUSSCGKSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023009
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
CID 122435525
benzyl 2,4-dimethyl-1,4-diazepane-1-carboxylate
CID 130581143
benzyl (2R)-4-[(3-amino-2-fluorophenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 58919233
benzyl (2S)-4-(2-chloroacetyl)-2-methylpiperazine-1-carboxylate
CID 96554961
benzyl (2S)-2-[[(3R)-4-acetyl-3-methylpiperazin-1-yl]methyl]-5-ethylpyrrolidine-1-carboxylate
CID 58007371
tert-butyl (2S)-2-methyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 175984578
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl 4-bromo-2-methylpiperidine-1-carboxylate
CID 119029057
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate?
The IUPAC name of benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate (CID 71023012) is benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate?
The canonical SMILES for benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate is CCN1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1.
What is the InChIKey of benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate?
The InChIKey is QKVNNHHZKMAVLC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-9-10-17(13(2)11-16)15(18)19-12-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate?
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 71023012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).