methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride

C12H25ClN2O2 — CID 120837084

IUPACmethyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN1CCNCC1C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10-9-13-6-8-14(10)7-5-12(2,3)11(15)16-4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyDZVUNGVKHGZFAQ-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.29
Rot. Bonds4

About methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride

methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride (PubChem CID 120837084) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
PubChem CID120837084
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Namemethyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN1CCNCC1C.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10-9-13-6-8-14(10)7-5-12(2,3)11(15)16-4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyDZVUNGVKHGZFAQ-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
CID 120843271
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621412
2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
CID 65250987
methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
CID 82760949
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
CID 174972322
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
1-(2-tert-butylsulfonylethyl)-2-methylpiperazine
CID 103815390
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride?
The IUPAC name of methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride (CID 120837084) is methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride.
What is the SMILES notation for methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride?
The canonical SMILES for methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride is COC(=O)C(C)(C)CCN1CCNCC1C.Cl.
What is the InChIKey of methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride?
The InChIKey is DZVUNGVKHGZFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-10-9-13-6-8-14(10)7-5-12(2,3)11(15)16-4;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride?
methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride is sourced from PubChem (CID 120837084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).