1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine

C17H20BrNO — CID 63529278

IUPAC1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
SMILESBrc1c(OCCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C17H20BrNO/c18-17-15-7-3-2-6-14(15)8-9-16(17)20-13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2
InChIKeyXKJAHDLMDFZBNX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine

1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine (PubChem CID 63529278) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
PubChem CID63529278
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
SMILESBrc1c(OCCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C17H20BrNO/c18-17-15-7-3-2-6-14(15)8-9-16(17)20-13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2
InChIKeyXKJAHDLMDFZBNX-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
CID 20553499
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
CID 21228753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine (CID 63529278) is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine is Brc1c(OCCN2CCCCC2)ccc2ccccc12.
What is the InChIKey of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine?
The InChIKey is XKJAHDLMDFZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-17-15-7-3-2-6-14(15)8-9-16(17)20-13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2.
What are the key properties of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine?
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine has a molecular weight of 334.26 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine is sourced from PubChem (CID 63529278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).