2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride

C19H24ClNO2 — CID 21127072

IUPAC2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1c(CCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C19H23NO2.ClH/c21-19(22)14-18-16(10-13-20-11-4-1-5-12-20)9-8-15-6-2-3-7-17(15)18;/h2-3,6-9H,1,4-5,10-14H2,(H,21,22);1H
InChIKeyYACSQIBEFYDFOB-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride

2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride (PubChem CID 21127072) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
PubChem CID21127072
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1c(CCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C19H23NO2.ClH/c21-19(22)14-18-16(10-13-20-11-4-1-5-12-20)9-8-15-6-2-3-7-17(15)18;/h2-3,6-9H,1,4-5,10-14H2,(H,21,22);1H
InChIKeyYACSQIBEFYDFOB-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride (CID 21127072) is 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride is Cl.O=C(O)Cc1c(CCN2CCCCC2)ccc2ccccc12.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride?
The InChIKey is YACSQIBEFYDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c21-19(22)14-18-16(10-13-20-11-4-1-5-12-20)9-8-15-6-2-3-7-17(15)18;/h2-3,6-9H,1,4-5,10-14H2,(H,21,22);1H.
What are the key properties of 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride?
2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 21127072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).