1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine

C23H37NO — CID 10523792

IUPAC1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(c1)CCCC2CCCCCN1CCCC(C)(C)C1
InChIInChI=1S/C23H37NO/c1-23(2)14-8-16-24(18-23)15-6-4-5-9-19-10-7-11-20-17-21(25-3)12-13-22(19)20/h12-13,17,19H,4-11,14-16,18H2,1-3H3
InChIKeyBECJZVZTAGLHBZ-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.80
Rot. Bonds7

About 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine

1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine (PubChem CID 10523792) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine
PubChem CID10523792
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(c1)CCCC2CCCCCN1CCCC(C)(C)C1
InChIInChI=1S/C23H37NO/c1-23(2)14-8-16-24(18-23)15-6-4-5-9-19-10-7-11-20-17-21(25-3)12-13-22(19)20/h12-13,17,19H,4-11,14-16,18H2,1-3H3
InChIKeyBECJZVZTAGLHBZ-UHFFFAOYSA-N
XLogP5.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.80
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-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine (CID 10523792) is 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine is COc1ccc2c(c1)CCCC2CCCCCN1CCCC(C)(C)C1.
What is the InChIKey of 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine?
The InChIKey is BECJZVZTAGLHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-23(2)14-8-16-24(18-23)15-6-4-5-9-19-10-7-11-20-17-21(25-3)12-13-22(19)20/h12-13,17,19H,4-11,14-16,18H2,1-3H3.
What are the key properties of 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine?
1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine has a molecular weight of 343.56 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pentyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 10523792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).