1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 53302045

IUPAC1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C2CC2)CC1
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)7-3-5-10(6-4-7)8-1-2-8;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyQEJMOJSVJPBRQG-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.37
Rot. Bonds2

About 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride

1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 53302045) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID53302045
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C2CC2)CC1
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)7-3-5-10(6-4-7)8-1-2-8;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyQEJMOJSVJPBRQG-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride (CID 53302045) is 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is QEJMOJSVJPBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-9(12)7-3-5-10(6-4-7)8-1-2-8;/h7-8H,1-6H2,(H,11,12);1H.
What are the key properties of 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride?
1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 53302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).