2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride

C9H18ClNO2 — CID 131876470

IUPAC2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2,8(11)12)10-6-4-3-5-7-10;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeyLWAKHYOGSDTUNT-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.76
Rot. Bonds2

About 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride

2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride (PubChem CID 131876470) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride
PubChem CID131876470
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(2,8(11)12)10-6-4-3-5-7-10;/h3-7H2,1-2H3,(H,11,12);1H
InChIKeyLWAKHYOGSDTUNT-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride (CID 131876470) is 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride is CC(C)(C(=O)O)N1CCCCC1.Cl.
What is the InChIKey of 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is LWAKHYOGSDTUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(2,8(11)12)10-6-4-3-5-7-10;/h3-7H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride?
2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 131876470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).