(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride

C13H19BrClN — CID 67264853

IUPAC(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
SMILESBrC[C@H]1CCCCN1Cc1ccccc1.Cl
InChIInChI=1S/C13H18BrN.ClH/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;1H/t13-;/m1./s1
InChIKeyPPVVSBYLWRWJAF-BTQNPOSSSA-N
MW304.66 g/mol
LogP3.86
Rot. Bonds3

About (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride

(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride (PubChem CID 67264853) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
PubChem CID67264853
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
SMILESBrC[C@H]1CCCCN1Cc1ccccc1.Cl
InChIInChI=1S/C13H18BrN.ClH/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;1H/t13-;/m1./s1
InChIKeyPPVVSBYLWRWJAF-BTQNPOSSSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.86
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

(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
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1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
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
2-(1-benzylpiperidin-2-yl)ethanethioamide
CID 18940971
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride?
The IUPAC name of (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride (CID 67264853) is (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride is BrC[C@H]1CCCCN1Cc1ccccc1.Cl.
What is the InChIKey of (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride?
The InChIKey is PPVVSBYLWRWJAF-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H18BrN.ClH/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12;/h1-3,6-7,13H,4-5,8-11H2;1H/t13-;/m1./s1.
What are the key properties of (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride?
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride has a molecular weight of 304.66 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride is sourced from PubChem (CID 67264853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).