methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride

C7H15ClN2O2 — CID 118918518

IUPACmethyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNC[C@@H]1C.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6-5-8-3-4-9(6)7(10)11-2;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyISGCXABXTUELRP-RGMNGODLSA-N
MW194.66 g/mol
LogP0.47
Rot. Bonds

About methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride

methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride (PubChem CID 118918518) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride
PubChem CID118918518
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Namemethyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNC[C@@H]1C.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-6-5-8-3-4-9(6)7(10)11-2;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyISGCXABXTUELRP-RGMNGODLSA-N
XLogP0.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl piperazine-1-carboxylate
CID 142729
1-Piperazinecarboxylic acid, ethyl ester, hydrochloride (1:1)
CID 90438
Methyl piperazine-1-carboxylate hydrochloride
CID 18399648
Methyl 3-aminopiperidine-1-carboxylate
CID 22273098
Methyl 4-aminopiperidine-1-carboxylate hydrochloride
CID 53256203
methyl N-(2-aminopropyl)carbamate hydrochloride
CID 155820191
Ethyl 2-methyl-1-piperazinecarboxylate
CID 14722554
Methyl piperazine carboxylic acid
CID 17845741
2-Ethylpiperazine-1-carboxylic acid
CID 22220032
N-butoxycarbonyl-3-methyl-piperazine
CID 58861614
(2R,5R)-5-(fluoromethyl)-2-methylpiperazine-1-carboxylic acid
CID 89157436
Difluoromethyl 2-methylpiperazine-1-carboxylate
CID 167451219

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride (CID 118918518) is methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride is COC(=O)N1CCNC[C@@H]1C.Cl.
What is the InChIKey of methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is ISGCXABXTUELRP-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-6-5-8-3-4-9(6)7(10)11-2;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride?
methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 118918518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).