(2R)-1-benzyl-2-(3-bromopropyl)piperidine

C15H22BrN — CID 97161904

IUPAC(2R)-1-benzyl-2-(3-bromopropyl)piperidine
SMILESBrCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22BrN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1
InChIKeyIPJDBZGPCBXEDV-OAHLLOKOSA-N
MW296.25 g/mol
LogP4.22
Rot. Bonds5

About (2R)-1-benzyl-2-(3-bromopropyl)piperidine

(2R)-1-benzyl-2-(3-bromopropyl)piperidine (PubChem CID 97161904) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(3-bromopropyl)piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(3-bromopropyl)piperidine
PubChem CID97161904
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(2R)-1-benzyl-2-(3-bromopropyl)piperidine
SMILESBrCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22BrN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1
InChIKeyIPJDBZGPCBXEDV-OAHLLOKOSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]phenol
CID 80670897
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(3-bromopropyl)piperidine?
The IUPAC name of (2R)-1-benzyl-2-(3-bromopropyl)piperidine (CID 97161904) is (2R)-1-benzyl-2-(3-bromopropyl)piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-(3-bromopropyl)piperidine?
The canonical SMILES for (2R)-1-benzyl-2-(3-bromopropyl)piperidine is BrCCC[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(3-bromopropyl)piperidine?
The InChIKey is IPJDBZGPCBXEDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22BrN/c16-11-6-10-15-9-4-5-12-17(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(3-bromopropyl)piperidine?
(2R)-1-benzyl-2-(3-bromopropyl)piperidine has a molecular weight of 296.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(3-bromopropyl)piperidine is sourced from PubChem (CID 97161904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).