1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine

C21H29NO — CID 11573193

IUPAC1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
InChIInChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
InChIKeyPIILAVXTKIZGHR-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.90
Rot. Bonds5

About 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine

1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (PubChem CID 11573193) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
PubChem CID11573193
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
InChIInChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
InChIKeyPIILAVXTKIZGHR-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5360696
Agomelatine
CID 82148
Levomethorphan
CID 5362449
(+-)-3-Methoxy-17-methylmorphinan
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Dextromethorphan Hydrobromide
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1-Cyclohexyl-4-(3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl)-piperazine
CID 10474335
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
8-Methoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44352179
3,3-Dimethyl-1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl)piperidine
CID 10245193
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride
CID 3057765
Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-N-methyl-
CID 3071638

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (CID 11573193) is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The InChIKey is PIILAVXTKIZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3.
What are the key properties of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine has a molecular weight of 311.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 11573193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).