1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine

C15H21BrN2 — CID 107081427

IUPAC1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESBrCc1ccccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H21BrN2/c16-11-14-3-1-2-4-15(14)18-9-7-17(8-10-18)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyIAKPBWCJSNUAHG-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine

1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 107081427) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine
PubChem CID107081427
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine
SMILESBrCc1ccccc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H21BrN2/c16-11-14-3-1-2-4-15(14)18-9-7-17(8-10-18)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyIAKPBWCJSNUAHG-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
CID 61441210
ethane;2-[4-(oxan-4-ylmethyl)piperazin-1-yl]aniline
CID 156797075
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 61445626
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 78940212
1-(1-benzofuran-7-yl)-4-(cyclopropylmethyl)piperazine
CID 14960342
2-bromo-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine (CID 107081427) is 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine is BrCc1ccccc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is IAKPBWCJSNUAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-11-14-3-1-2-4-15(14)18-9-7-17(8-10-18)12-13-5-6-13/h1-4,13H,5-12H2.
What are the key properties of 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine?
1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 309.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 107081427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).