methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid

C8H17N3O2 — CID 130404511

IUPACmethyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
SMILESCN1CCNC(CN(C)C(=O)O)C1
InChIInChI=1S/C8H17N3O2/c1-10-4-3-9-7(5-10)6-11(2)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAJYJXKMWXSMOBF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.50
Rot. Bonds2

About methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid

methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid (PubChem CID 130404511) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
PubChem CID130404511
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Namemethyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
SMILESCN1CCNC(CN(C)C(=O)O)C1
InChIInChI=1S/C8H17N3O2/c1-10-4-3-9-7(5-10)6-11(2)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAJYJXKMWXSMOBF-UHFFFAOYSA-N
XLogP-0.50
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178265
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238709
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238803
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
CID 115238599

Frequently Asked Questions

What is the IUPAC name of methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid?
The IUPAC name of methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid (CID 130404511) is methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid.
What is the SMILES notation for methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid?
The canonical SMILES for methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid is CN1CCNC(CN(C)C(=O)O)C1.
What is the InChIKey of methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid?
The InChIKey is AJYJXKMWXSMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-4-3-9-7(5-10)6-11(2)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid?
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid has a molecular weight of 187.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid is sourced from PubChem (CID 130404511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).