1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine

C15H21BrClN — CID 112747997

IUPAC1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine
SMILESCC(Cl)CC1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrClN/c1-12(17)9-15-7-2-3-8-18(15)11-13-5-4-6-14(16)10-13/h4-6,10,12,15H,2-3,7-9,11H2,1H3
InChIKeyJRYDEBNGNLMPBI-UHFFFAOYSA-N
MW330.70 g/mol
LogP4.82
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine

1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine (PubChem CID 112747997) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine
PubChem CID112747997
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine
SMILESCC(Cl)CC1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrClN/c1-12(17)9-15-7-2-3-8-18(15)11-13-5-4-6-14(16)10-13/h4-6,10,12,15H,2-3,7-9,11H2,1H3
InChIKeyJRYDEBNGNLMPBI-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 54.82
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-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
1-[(3-bromo-5-fluorophenyl)methyl]-2-(2-chloropropyl)pyrrolidine
CID 112747891
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine (CID 112747997) is 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine is CC(Cl)CC1CCCCN1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine?
The InChIKey is JRYDEBNGNLMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-12(17)9-15-7-2-3-8-18(15)11-13-5-4-6-14(16)10-13/h4-6,10,12,15H,2-3,7-9,11H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine?
1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine has a molecular weight of 330.70 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-(2-chloropropyl)piperidine is sourced from PubChem (CID 112747997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).