ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride

C18H22ClNO2 — CID 52942690

IUPACethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-2-21-17(20)18(9-11-19-12-10-18)16-8-7-14-5-3-4-6-15(14)13-16;/h3-8,13,19H,2,9-12H2,1H3;1H
InChIKeyNIVCOGLYYRLNPL-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.45
Rot. Bonds3

About ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride

ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride (PubChem CID 52942690) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride
PubChem CID52942690
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Nameethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-2-21-17(20)18(9-11-19-12-10-18)16-8-7-14-5-3-4-6-15(14)13-16;/h3-8,13,19H,2,9-12H2,1H3;1H
InChIKeyNIVCOGLYYRLNPL-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride (CID 52942690) is ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1.Cl.
What is the InChIKey of ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is NIVCOGLYYRLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-2-21-17(20)18(9-11-19-12-10-18)16-8-7-14-5-3-4-6-15(14)13-16;/h3-8,13,19H,2,9-12H2,1H3;1H.
What are the key properties of ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride?
ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52942690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).