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

C22H35NO — CID 10595029

IUPAC1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine
SMILESCOc1cccc2c1CCCC2CCCCN1CCCC(C)(C)C1
InChIInChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
InChIKeyWEUUSZNKIJMTMI-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.41
Rot. Bonds6

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

1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine (PubChem CID 10595029) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine
PubChem CID10595029
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine
SMILESCOc1cccc2c1CCCC2CCCCN1CCCC(C)(C)C1
InChIInChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
InChIKeyWEUUSZNKIJMTMI-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.41
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-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine (CID 10595029) is 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine is COc1cccc2c1CCCC2CCCCN1CCCC(C)(C)C1.
What is the InChIKey of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine?
The InChIKey is WEUUSZNKIJMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3.
What are the key properties of 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine?
1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine has a molecular weight of 329.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 10595029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).