benzyl 3,3-dimethylpiperazine-1-carboxylate

C14H20N2O2 — CID 51358536

IUPACbenzyl 3,3-dimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H20N2O2/c1-14(2)11-16(9-8-15-14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyAGXCBFAKAWDODM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds2

About benzyl 3,3-dimethylpiperazine-1-carboxylate

benzyl 3,3-dimethylpiperazine-1-carboxylate (PubChem CID 51358536) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 3,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3,3-dimethylpiperazine-1-carboxylate
PubChem CID51358536
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 3,3-dimethylpiperazine-1-carboxylate
SMILESCC1(C)CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H20N2O2/c1-14(2)11-16(9-8-15-14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyAGXCBFAKAWDODM-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
3-O-benzyl 1-O-tert-butyl (3S)-3-methylpiperazine-1,3-dicarboxylate
CID 172635141
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278861
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202

Frequently Asked Questions

What is the IUPAC name of benzyl 3,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of benzyl 3,3-dimethylpiperazine-1-carboxylate (CID 51358536) is benzyl 3,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 3,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 3,3-dimethylpiperazine-1-carboxylate is CC1(C)CN(C(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl 3,3-dimethylpiperazine-1-carboxylate?
The InChIKey is AGXCBFAKAWDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)11-16(9-8-15-14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3.
What are the key properties of benzyl 3,3-dimethylpiperazine-1-carboxylate?
benzyl 3,3-dimethylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 51358536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).