1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine

C19H27NO — CID 142171774

IUPAC1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
SMILESC=C1CCCc2ccc(OCCCN3CCCCC3)cc21
InChIInChI=1S/C19H27NO/c1-16-7-5-8-17-9-10-18(15-19(16)17)21-14-6-13-20-11-3-2-4-12-20/h9-10,15H,1-8,11-14H2
InChIKeyGUILHRBCQBIKDY-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.29
Rot. Bonds5

About 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine

1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine (PubChem CID 142171774) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
PubChem CID142171774
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
SMILESC=C1CCCc2ccc(OCCCN3CCCCC3)cc21
InChIInChI=1S/C19H27NO/c1-16-7-5-8-17-9-10-18(15-19(16)17)21-14-6-13-20-11-3-2-4-12-20/h9-10,15H,1-8,11-14H2
InChIKeyGUILHRBCQBIKDY-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
CID 141195419
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317763
1-[3-[[6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]oxy]propyl]piperidine
CID 11545198
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684225
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
2-methylsulfanyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
CID 142171872
ethane;7-(3-piperidin-1-ylpropoxy)-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 142171690
9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 143379957
7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine?
The IUPAC name of 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine (CID 142171774) is 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine?
The canonical SMILES for 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine is C=C1CCCc2ccc(OCCCN3CCCCC3)cc21.
What is the InChIKey of 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine?
The InChIKey is GUILHRBCQBIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-16-7-5-8-17-9-10-18(15-19(16)17)21-14-6-13-20-11-3-2-4-12-20/h9-10,15H,1-8,11-14H2.
What are the key properties of 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine?
1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine has a molecular weight of 285.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine is sourced from PubChem (CID 142171774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).