1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine

C19H27NO — CID 170588431

IUPAC1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine
SMILESCCc1c(OC)cc(CN2CCCCC2)c2c1=CCCC=2
InChIInChI=1S/C19H27NO/c1-3-16-18-10-6-5-9-17(18)15(13-19(16)21-2)14-20-11-7-4-8-12-20/h9-10,13H,3-8,11-12,14H2,1-2H3
InChIKeyFYEFALOAJKPFHF-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.60
Rot. Bonds4

About 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine

1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine (PubChem CID 170588431) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine
PubChem CID170588431
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine
SMILESCCc1c(OC)cc(CN2CCCCC2)c2c1=CCCC=2
InChIInChI=1S/C19H27NO/c1-3-16-18-10-6-5-9-17(18)15(13-19(16)21-2)14-20-11-7-4-8-12-20/h9-10,13H,3-8,11-12,14H2,1-2H3
InChIKeyFYEFALOAJKPFHF-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine?
The IUPAC name of 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine (CID 170588431) is 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine is CCc1c(OC)cc(CN2CCCCC2)c2c1=CCCC=2.
What is the InChIKey of 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine?
The InChIKey is FYEFALOAJKPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-16-18-10-6-5-9-17(18)15(13-19(16)21-2)14-20-11-7-4-8-12-20/h9-10,13H,3-8,11-12,14H2,1-2H3.
What are the key properties of 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine?
1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine has a molecular weight of 285.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-methoxy-6,7-dihydronaphthalen-1-yl)methyl]piperidine is sourced from PubChem (CID 170588431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).