propan-2-yl 1-methylpiperazine-2-carboxylate

C9H18N2O2 — CID 175918084

IUPACpropan-2-yl 1-methylpiperazine-2-carboxylate
SMILESCC(C)OC(=O)C1CNCCN1C
InChIInChI=1S/C9H18N2O2/c1-7(2)13-9(12)8-6-10-4-5-11(8)3/h7-8,10H,4-6H2,1-3H3
InChIKeyYRVFOSCUFQMJEP-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds2

About propan-2-yl 1-methylpiperazine-2-carboxylate

propan-2-yl 1-methylpiperazine-2-carboxylate (PubChem CID 175918084) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl 1-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methylpiperazine-2-carboxylate
PubChem CID175918084
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepropan-2-yl 1-methylpiperazine-2-carboxylate
SMILESCC(C)OC(=O)C1CNCCN1C
InChIInChI=1S/C9H18N2O2/c1-7(2)13-9(12)8-6-10-4-5-11(8)3/h7-8,10H,4-6H2,1-3H3
InChIKeyYRVFOSCUFQMJEP-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
CID 18712905
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
CID 115177823
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
methyl 4-methyl-1,4-diazepane-5-carboxylate
CID 174500451
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
(2R)-N-cyclobutyl-1-methylpiperazine-2-carboxamide
CID 89103840
1-methyl-1,4-diazepane-2-carboxylic acid
CID 23090542

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methylpiperazine-2-carboxylate?
The IUPAC name of propan-2-yl 1-methylpiperazine-2-carboxylate (CID 175918084) is propan-2-yl 1-methylpiperazine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-methylpiperazine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-methylpiperazine-2-carboxylate is CC(C)OC(=O)C1CNCCN1C.
What is the InChIKey of propan-2-yl 1-methylpiperazine-2-carboxylate?
The InChIKey is YRVFOSCUFQMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)13-9(12)8-6-10-4-5-11(8)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 1-methylpiperazine-2-carboxylate?
propan-2-yl 1-methylpiperazine-2-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methylpiperazine-2-carboxylate is sourced from PubChem (CID 175918084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).