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

C26H35NO — CID 10595772

IUPAC4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
SMILESCOc1cccc2c1CCCC2CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35NO/c1-28-26-14-6-12-24-23(10-5-13-25(24)26)11-7-17-27-18-15-22(16-19-27)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22-23H,5,7,10-11,13,15-20H2,1H3
InChIKeyWRFURAZNSFDBGH-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.85
Rot. Bonds7

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

4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine (PubChem CID 10595772) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
PubChem CID10595772
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
SMILESCOc1cccc2c1CCCC2CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H35NO/c1-28-26-14-6-12-24-23(10-5-13-25(24)26)11-7-17-27-18-15-22(16-19-27)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22-23H,5,7,10-11,13,15-20H2,1H3
InChIKeyWRFURAZNSFDBGH-UHFFFAOYSA-N
XLogP5.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The IUPAC name of 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine (CID 10595772) is 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The canonical SMILES for 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine is COc1cccc2c1CCCC2CCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
The InChIKey is WRFURAZNSFDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/c1-28-26-14-6-12-24-23(10-5-13-25(24)26)11-7-17-27-18-15-22(16-19-27)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22-23H,5,7,10-11,13,15-20H2,1H3.
What are the key properties of 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine?
4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine has a molecular weight of 377.57 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine is sourced from PubChem (CID 10595772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).