4-(3-bromophenyl)-4-methylpiperidine;hydrochloride

C12H17BrClN — CID 71757850

IUPAC4-(3-bromophenyl)-4-methylpiperidine;hydrochloride
SMILESCC1(c2cccc(Br)c2)CCNCC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-12(5-7-14-8-6-12)10-3-2-4-11(13)9-10;/h2-4,9,14H,5-8H2,1H3;1H
InChIKeySZBSWFNULJRSRF-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.51
Rot. Bonds1

About 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride

4-(3-bromophenyl)-4-methylpiperidine;hydrochloride (PubChem CID 71757850) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-bromophenyl)-4-methylpiperidine;hydrochloride
PubChem CID71757850
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name4-(3-bromophenyl)-4-methylpiperidine;hydrochloride
SMILESCC1(c2cccc(Br)c2)CCNCC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-12(5-7-14-8-6-12)10-3-2-4-11(13)9-10;/h2-4,9,14H,5-8H2,1H3;1H
InChIKeySZBSWFNULJRSRF-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride?
The IUPAC name of 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride (CID 71757850) is 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride?
The canonical SMILES for 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride is CC1(c2cccc(Br)c2)CCNCC1.Cl.
What is the InChIKey of 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride?
The InChIKey is SZBSWFNULJRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c1-12(5-7-14-8-6-12)10-3-2-4-11(13)9-10;/h2-4,9,14H,5-8H2,1H3;1H.
What are the key properties of 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride?
4-(3-bromophenyl)-4-methylpiperidine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 71757850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).