1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine

C14H23BrN2O — CID 171309929

IUPAC1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(Br)o1)N1CCNCC1
InChIInChI=1S/C14H23BrN2O/c1-11(2)3-4-12(13-5-6-14(15)18-13)17-9-7-16-8-10-17/h5-6,11-12,16H,3-4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJLXDSCQMIOBTCN-LBPRGKRZSA-N
MW315.25 g/mol
LogP3.42
Rot. Bonds5

About 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine

1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine (PubChem CID 171309929) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine
PubChem CID171309929
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@@H](c1ccc(Br)o1)N1CCNCC1
InChIInChI=1S/C14H23BrN2O/c1-11(2)3-4-12(13-5-6-14(15)18-13)17-9-7-16-8-10-17/h5-6,11-12,16H,3-4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJLXDSCQMIOBTCN-LBPRGKRZSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
2,6-dibromo-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310693
1-[(1R)-1-(6-bromo-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310842
1-[(1S)-1-(2-bromo-6-fluorophenyl)-4-methylpentyl]piperazine
CID 171310093
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1S)-1-(2-bromo-3-fluorophenyl)-4-methylpentyl]piperazine
CID 171310131
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
2,6-dibromo-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309928
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butyl]piperazine
CID 171303028

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine (CID 171309929) is 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine is CC(C)CC[C@@H](c1ccc(Br)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine?
The InChIKey is JLXDSCQMIOBTCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-11(2)3-4-12(13-5-6-14(15)18-13)17-9-7-16-8-10-17/h5-6,11-12,16H,3-4,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine?
1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine has a molecular weight of 315.25 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-bromofuran-2-yl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171309929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).