1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine

C18H22BrNO — CID 2935863

IUPAC1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine
SMILESCC1CCCN(CCOc2ccc3ccccc3c2Br)C1
InChIInChI=1S/C18H22BrNO/c1-14-5-4-10-20(13-14)11-12-21-17-9-8-15-6-2-3-7-16(15)18(17)19/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyAIMUFYVOHLVFCJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.71
Rot. Bonds4

About 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine

1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine (PubChem CID 2935863) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine
PubChem CID2935863
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine
SMILESCC1CCCN(CCOc2ccc3ccccc3c2Br)C1
InChIInChI=1S/C18H22BrNO/c1-14-5-4-10-20(13-14)11-12-21-17-9-8-15-6-2-3-7-16(15)18(17)19/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyAIMUFYVOHLVFCJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine (CID 2935863) is 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine is CC1CCCN(CCOc2ccc3ccccc3c2Br)C1.
What is the InChIKey of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine?
The InChIKey is AIMUFYVOHLVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14-5-4-10-20(13-14)11-12-21-17-9-8-15-6-2-3-7-16(15)18(17)19/h2-3,6-9,14H,4-5,10-13H2,1H3.
What are the key properties of 1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine?
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylpiperidine has a molecular weight of 348.28 g/mol, XLogP of 4.71, 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]-3-methylpiperidine is sourced from PubChem (CID 2935863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).