1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride

C9H18ClNO2 — CID 45075031

IUPAC1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)10-5-3-8(4-6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyCEPJGCZBWYSENC-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.61
Rot. Bonds2

About 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride

1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 45075031) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID45075031
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)10-5-3-8(4-6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyCEPJGCZBWYSENC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride (CID 45075031) is 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride is CC(C)N1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is CEPJGCZBWYSENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7(2)10-5-3-8(4-6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride?
1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45075031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).