4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride

C18H24ClNO — CID 73349057

IUPAC4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride
SMILESCOCC(c1ccc2ccccc2c1)C1CCNCC1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-20-13-18(15-8-10-19-11-9-15)17-7-6-14-4-2-3-5-16(14)12-17;/h2-7,12,15,18-19H,8-11,13H2,1H3;1H
InChIKeyAQLYDOOFZXWOAC-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.99
Rot. Bonds4

About 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride

4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride (PubChem CID 73349057) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride
PubChem CID73349057
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride
SMILESCOCC(c1ccc2ccccc2c1)C1CCNCC1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-20-13-18(15-8-10-19-11-9-15)17-7-6-14-4-2-3-5-16(14)12-17;/h2-7,12,15,18-19H,8-11,13H2,1H3;1H
InChIKeyAQLYDOOFZXWOAC-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride (CID 73349057) is 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride is COCC(c1ccc2ccccc2c1)C1CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride?
The InChIKey is AQLYDOOFZXWOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-20-13-18(15-8-10-19-11-9-15)17-7-6-14-4-2-3-5-16(14)12-17;/h2-7,12,15,18-19H,8-11,13H2,1H3;1H.
What are the key properties of 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride?
4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride is sourced from PubChem (CID 73349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).