benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride

C16H25ClN2O2 — CID 45072616

IUPACbenzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13(2)10-15-11-18(9-8-17-15)16(19)20-12-14-6-4-3-5-7-14;/h3-7,13,15,17H,8-12H2,1-2H3;1H/t15-;/m1./s1
InChIKeySGVQHOAZADBVAX-XFULWGLBSA-N
MW312.84 g/mol
LogP3.06
Rot. Bonds4

About benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride

benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 45072616) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
PubChem CID45072616
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Namebenzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13(2)10-15-11-18(9-8-17-15)16(19)20-12-14-6-4-3-5-7-14;/h3-7,13,15,17H,8-12H2,1-2H3;1H/t15-;/m1./s1
InChIKeySGVQHOAZADBVAX-XFULWGLBSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
CID 175550665
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
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-(pent-4-enoxymethyl)piperazine-1-carboxylate
CID 170562977
benzyl (3R,4S)-3-hydroxy-4-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 46939031
benzyl 3-[[bis[(4-methoxyphenyl)methyl]amino]methyl]piperazine-1-carboxylate
CID 177261956
benzyl (3R)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 91537627
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
benzyl (3R)-3-[2-(5-fluoro-2-methoxyphenoxy)ethyl]piperazine-1-carboxylate
CID 91254169

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride (CID 45072616) is benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride is CC(C)C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1.Cl.
What is the InChIKey of benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is SGVQHOAZADBVAX-XFULWGLBSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13(2)10-15-11-18(9-8-17-15)16(19)20-12-14-6-4-3-5-7-14;/h3-7,13,15,17H,8-12H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride?
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 45072616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).