1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride

C21H34ClNO — CID 11717302

IUPAC1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2CCCCN1CCC(C)CC1.Cl
InChIInChI=1S/C21H33NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h9-10,16-18H,3-8,11-15H2,1-2H3;1H
InChIKeyPFKYXLHAXYCXQP-UHFFFAOYSA-N
MW351.96 g/mol
LogP5.44
Rot. Bonds6

About 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride

1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride (PubChem CID 11717302) has the molecular formula C21H34ClNO and a molecular weight of 351.96 g/mol. Its IUPAC name is 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
PubChem CID11717302
Molecular FormulaC21H34ClNO
Molecular Weight351.96 g/mol
Exact Mass351.23
IUPAC Name1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2CCCCN1CCC(C)CC1.Cl
InChIInChI=1S/C21H33NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h9-10,16-18H,3-8,11-15H2,1-2H3;1H
InChIKeyPFKYXLHAXYCXQP-UHFFFAOYSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride (CID 11717302) is 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride is COc1ccc2c(c1)CCCC2CCCCN1CCC(C)CC1.Cl.
What is the InChIKey of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The InChIKey is PFKYXLHAXYCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h9-10,16-18H,3-8,11-15H2,1-2H3;1H.
What are the key properties of 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride has a molecular weight of 351.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 11717302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).