1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine

C17H25BrN2 — CID 782135

IUPAC1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESBrc1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-16-6-4-15(5-7-16)14-19-12-8-17(9-13-19)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2
InChIKeyDTZQPJTYISOMSL-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.90
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine

1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine (PubChem CID 782135) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
PubChem CID782135
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESBrc1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-16-6-4-15(5-7-16)14-19-12-8-17(9-13-19)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2
InChIKeyDTZQPJTYISOMSL-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine (CID 782135) is 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine is Brc1ccc(CN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The InChIKey is DTZQPJTYISOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-16-6-4-15(5-7-16)14-19-12-8-17(9-13-19)20-10-2-1-3-11-20/h4-7,17H,1-3,8-14H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine has a molecular weight of 337.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 782135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).