1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine

C14H20BrNO2 — CID 134579327

IUPAC1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
SMILESCOC(OC)C1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c1-17-14(18-2)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyDSTXKGWPDOBQDY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine

1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine (PubChem CID 134579327) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
PubChem CID134579327
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
SMILESCOC(OC)C1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c1-17-14(18-2)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyDSTXKGWPDOBQDY-UHFFFAOYSA-N
XLogP3.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine?
The IUPAC name of 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine (CID 134579327) is 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine?
The canonical SMILES for 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine is COC(OC)C1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine?
The InChIKey is DSTXKGWPDOBQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-14(18-2)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine?
1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine has a molecular weight of 314.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine is sourced from PubChem (CID 134579327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).