1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone

C18H25NO2 — CID 58610266

IUPAC1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone
SMILESCOc1c(C2CCN(C(C)=O)CC2)ccc2c1CCCC2
InChIInChI=1S/C18H25NO2/c1-13(20)19-11-9-15(10-12-19)17-8-7-14-5-3-4-6-16(14)18(17)21-2/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyISQUWANUVCLWRE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.30
Rot. Bonds2

About 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone

1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone (PubChem CID 58610266) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone
PubChem CID58610266
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone
SMILESCOc1c(C2CCN(C(C)=O)CC2)ccc2c1CCCC2
InChIInChI=1S/C18H25NO2/c1-13(20)19-11-9-15(10-12-19)17-8-7-14-5-3-4-6-16(14)18(17)21-2/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyISQUWANUVCLWRE-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
CID 87914884
N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532782
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 70041976
1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 117273377
1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
1-[4-(2-ethoxy-4-ethylphenyl)piperidin-1-yl]ethanone
CID 18751552
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone
CID 99971887
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone (CID 58610266) is 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone is COc1c(C2CCN(C(C)=O)CC2)ccc2c1CCCC2.
What is the InChIKey of 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ISQUWANUVCLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(20)19-11-9-15(10-12-19)17-8-7-14-5-3-4-6-16(14)18(17)21-2/h7-8,15H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone?
1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58610266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).