benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate

C15H22N2O2 — CID 45072623

IUPACbenzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C15H22N2O2/c1-12(2)14-10-17(9-8-16-14)15(18)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyUHKFCNJIUKFZTO-AWEZNQCLSA-N
MW262.35 g/mol
LogP2.25
Rot. Bonds3

About benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate

benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate (PubChem CID 45072623) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
PubChem CID45072623
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C15H22N2O2/c1-12(2)14-10-17(9-8-16-14)15(18)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyUHKFCNJIUKFZTO-AWEZNQCLSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
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
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 83855176
benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
CID 175550665
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate (CID 45072623) is benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate is CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is UHKFCNJIUKFZTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)14-10-17(9-8-16-14)15(18)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate?
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 45072623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).