1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine

C14H20BrN3 — CID 113234116

IUPAC1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
SMILESBrc1cncc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C14H20BrN3/c15-12-9-14(11-16-10-12)18-7-5-17(6-8-18)13-3-1-2-4-13/h9-11,13H,1-8H2
InChIKeyPHKKFTLBIQOKMN-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine

1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine (PubChem CID 113234116) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
PubChem CID113234116
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
SMILESBrc1cncc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C14H20BrN3/c15-12-9-14(11-16-10-12)18-7-5-17(6-8-18)13-3-1-2-4-13/h9-11,13H,1-8H2
InChIKeyPHKKFTLBIQOKMN-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114223219
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
5-(4-cyclopropylpiperazin-1-yl)pyridin-3-amine
CID 104533354
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
2-(5-bromo-3-pyridinyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104531854
4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one
CID 71924857
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine (CID 113234116) is 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine is Brc1cncc(N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine?
The InChIKey is PHKKFTLBIQOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c15-12-9-14(11-16-10-12)18-7-5-17(6-8-18)13-3-1-2-4-13/h9-11,13H,1-8H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine?
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine has a molecular weight of 310.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine is sourced from PubChem (CID 113234116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).