2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride

C10H21ClN2O2 — CID 174708967

IUPAC2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
SMILESCC(C)(CCN1CCNCC1)C(=O)O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14)3-6-12-7-4-11-5-8-12;/h11H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyIKNZPKOQVHZTGP-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.81
Rot. Bonds4

About 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride

2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride (PubChem CID 174708967) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
PubChem CID174708967
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
SMILESCC(C)(CCN1CCNCC1)C(=O)O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14)3-6-12-7-4-11-5-8-12;/h11H,3-8H2,1-2H3,(H,13,14);1H
InChIKeyIKNZPKOQVHZTGP-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
CID 65248276
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
CID 175454459
3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
CID 21338288
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride?
The IUPAC name of 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride (CID 174708967) is 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride?
The canonical SMILES for 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride is CC(C)(CCN1CCNCC1)C(=O)O.Cl.
What is the InChIKey of 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride?
The InChIKey is IKNZPKOQVHZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14)3-6-12-7-4-11-5-8-12;/h11H,3-8H2,1-2H3,(H,13,14);1H.
What are the key properties of 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride?
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 174708967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).