4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine

C16H17Br2NO — CID 56830685

IUPAC4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
SMILESBrc1ccc2c(Br)c(OCC3CCNCC3)ccc2c1
InChIInChI=1S/C16H17Br2NO/c17-13-2-3-14-12(9-13)1-4-15(16(14)18)20-10-11-5-7-19-8-6-11/h1-4,9,11,19H,5-8,10H2
InChIKeySHNMXBKTEXKONW-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.74
Rot. Bonds3

About 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine

4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine (PubChem CID 56830685) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
PubChem CID56830685
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
SMILESBrc1ccc2c(Br)c(OCC3CCNCC3)ccc2c1
InChIInChI=1S/C16H17Br2NO/c17-13-2-3-14-12(9-13)1-4-15(16(14)18)20-10-11-5-7-19-8-6-11/h1-4,9,11,19H,5-8,10H2
InChIKeySHNMXBKTEXKONW-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
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3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
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3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine?
The IUPAC name of 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine (CID 56830685) is 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine is Brc1ccc2c(Br)c(OCC3CCNCC3)ccc2c1.
What is the InChIKey of 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine?
The InChIKey is SHNMXBKTEXKONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c17-13-2-3-14-12(9-13)1-4-15(16(14)18)20-10-11-5-7-19-8-6-11/h1-4,9,11,19H,5-8,10H2.
What are the key properties of 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine?
4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine has a molecular weight of 399.13 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 56830685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).