1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine

C14H20BrNO — CID 2923979

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyPKWKAMXYVZMMRJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine

1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine (PubChem CID 2923979) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine
PubChem CID2923979
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine
SMILESCC1CCCN(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyPKWKAMXYVZMMRJ-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine (CID 2923979) is 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine is CC1CCCN(CCOc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine?
The InChIKey is PKWKAMXYVZMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine?
1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine has a molecular weight of 298.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-methylpiperidine is sourced from PubChem (CID 2923979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).