4-methylpiperazine-1-carboxylic acid;hydrochloride

C6H13ClN2O2 — CID 70630580

IUPAC4-methylpiperazine-1-carboxylic acid;hydrochloride
SMILESCN1CCN(C(=O)O)CC1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-7-2-4-8(5-3-7)6(9)10;/h2-5H2,1H3,(H,9,10);1H
InChIKeyWHRPRRMXVSJTGW-UHFFFAOYSA-N
MW180.63 g/mol
LogP0.33
Rot. Bonds

About 4-methylpiperazine-1-carboxylic acid;hydrochloride

4-methylpiperazine-1-carboxylic acid;hydrochloride (PubChem CID 70630580) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 4-methylpiperazine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylpiperazine-1-carboxylic acid;hydrochloride
PubChem CID70630580
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name4-methylpiperazine-1-carboxylic acid;hydrochloride
SMILESCN1CCN(C(=O)O)CC1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-7-2-4-8(5-3-7)6(9)10;/h2-5H2,1H3,(H,9,10);1H
InChIKeyWHRPRRMXVSJTGW-UHFFFAOYSA-N
XLogP0.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
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azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
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formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
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N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
4-(1-carboxy-4-oxobutyl)-10-methyl-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid
CID 177187676
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylpiperazine-1-carboxylic acid;hydrochloride (CID 70630580) is 4-methylpiperazine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylpiperazine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylpiperazine-1-carboxylic acid;hydrochloride is CN1CCN(C(=O)O)CC1.Cl.
What is the InChIKey of 4-methylpiperazine-1-carboxylic acid;hydrochloride?
The InChIKey is WHRPRRMXVSJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-7-2-4-8(5-3-7)6(9)10;/h2-5H2,1H3,(H,9,10);1H.
What are the key properties of 4-methylpiperazine-1-carboxylic acid;hydrochloride?
4-methylpiperazine-1-carboxylic acid;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70630580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).