4-(3-bromophenyl)-1-piperidin-4-ylpiperidine

C16H23BrN2 — CID 84605686

IUPAC4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
SMILESBrc1cccc(C2CCN(C3CCNCC3)CC2)c1
InChIInChI=1S/C16H23BrN2/c17-15-3-1-2-14(12-15)13-6-10-19(11-7-13)16-4-8-18-9-5-16/h1-3,12-13,16,18H,4-11H2
InChIKeyHTLGVETVFOUHRN-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.38
Rot. Bonds2

About 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine

4-(3-bromophenyl)-1-piperidin-4-ylpiperidine (PubChem CID 84605686) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
PubChem CID84605686
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
SMILESBrc1cccc(C2CCN(C3CCNCC3)CC2)c1
InChIInChI=1S/C16H23BrN2/c17-15-3-1-2-14(12-15)13-6-10-19(11-7-13)16-4-8-18-9-5-16/h1-3,12-13,16,18H,4-11H2
InChIKeyHTLGVETVFOUHRN-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine?
The IUPAC name of 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine (CID 84605686) is 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine?
The canonical SMILES for 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine is Brc1cccc(C2CCN(C3CCNCC3)CC2)c1.
What is the InChIKey of 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine?
The InChIKey is HTLGVETVFOUHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-15-3-1-2-14(12-15)13-6-10-19(11-7-13)16-4-8-18-9-5-16/h1-3,12-13,16,18H,4-11H2.
What are the key properties of 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine?
4-(3-bromophenyl)-1-piperidin-4-ylpiperidine has a molecular weight of 323.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 84605686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).