1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine

C17H25BrN2 — CID 71395671

IUPAC1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
SMILESBrc1cccc(C(N2CCCCC2)N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2/c18-16-9-7-8-15(14-16)17(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h7-9,14,17H,1-6,10-13H2
InChIKeyHDUIGTSGSCAGFZ-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.42
Rot. Bonds3

About 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine

1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine (PubChem CID 71395671) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
PubChem CID71395671
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
SMILESBrc1cccc(C(N2CCCCC2)N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2/c18-16-9-7-8-15(14-16)17(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h7-9,14,17H,1-6,10-13H2
InChIKeyHDUIGTSGSCAGFZ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-bromophenyl)-2-chloroethyl]piperidine
CID 82094794
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
N-[1-(3-bromophenyl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207807
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-[(3-bromophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3682200
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine?
The IUPAC name of 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine (CID 71395671) is 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine.
What is the SMILES notation for 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine?
The canonical SMILES for 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine is Brc1cccc(C(N2CCCCC2)N2CCCCC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine?
The InChIKey is HDUIGTSGSCAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-16-9-7-8-15(14-16)17(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h7-9,14,17H,1-6,10-13H2.
What are the key properties of 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine?
1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine has a molecular weight of 337.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine is sourced from PubChem (CID 71395671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).