1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride

C21H30ClNO — CID 11581052

IUPAC1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18;/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3;1H
InChIKeyBUEIXMWEXNCJJA-UHFFFAOYSA-N
MW347.93 g/mol
LogP5.32
Rot. Bonds5

About 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride

1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (PubChem CID 11581052) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
PubChem CID11581052
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18;/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3;1H
InChIKeyBUEIXMWEXNCJJA-UHFFFAOYSA-N
XLogP5.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride (CID 11581052) is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1.Cl.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is BUEIXMWEXNCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18;/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3;1H.
What are the key properties of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride?
1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 11581052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).