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

C21H33NO — CID 10245193

IUPAC1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1cccc2c1CCCC2CCCN1CCCC(C)(C)C1
InChIInChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
InChIKeyXBELINVRDYBWOG-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.02
Rot. Bonds5

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

1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (PubChem CID 10245193) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
PubChem CID10245193
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1cccc2c1CCCC2CCCN1CCCC(C)(C)C1
InChIInChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
InChIKeyXBELINVRDYBWOG-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (CID 10245193) is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is COc1cccc2c1CCCC2CCCN1CCCC(C)(C)C1.
What is the InChIKey of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The InChIKey is XBELINVRDYBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3.
What are the key properties of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine has a molecular weight of 315.50 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 10245193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).