1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine

C16H23BrN2 — CID 55159178

IUPAC1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
SMILESBrc1ccc(CN2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-18-11-8-16(13-18)19-9-2-1-3-10-19/h4-7,16H,1-3,8-13H2
InChIKeyRVACBPMZXAHDAE-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine

1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine (PubChem CID 55159178) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
PubChem CID55159178
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
SMILESBrc1ccc(CN2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-18-11-8-16(13-18)19-9-2-1-3-10-19/h4-7,16H,1-3,8-13H2
InChIKeyRVACBPMZXAHDAE-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]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

2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
2-bromo-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 115557190
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-bromo-3-nitrophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 115557768
1-[1-[(3-chloro-4-ethoxyphenyl)methyl]pyrrolidin-3-yl]piperidine
CID 77095203
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine (CID 55159178) is 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine is Brc1ccc(CN2CCC(N3CCCCC3)C2)cc1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine?
The InChIKey is RVACBPMZXAHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-15-6-4-14(5-7-15)12-18-11-8-16(13-18)19-9-2-1-3-10-19/h4-7,16H,1-3,8-13H2.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine?
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine has a molecular weight of 323.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 55159178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).