1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine

C17H21N3O — CID 138460517

IUPAC1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-8-7-16(13-18-17)20-11-9-19(10-12-20)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyLLZCCSDZLRMFEG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds4

About 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine

1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine (PubChem CID 138460517) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
PubChem CID138460517
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-8-7-16(13-18-17)20-11-9-19(10-12-20)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKeyLLZCCSDZLRMFEG-UHFFFAOYSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine
CID 146038340
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
CID 89000502
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316830

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine?
The IUPAC name of 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine (CID 138460517) is 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine?
The canonical SMILES for 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine is COc1ccc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine?
The InChIKey is LLZCCSDZLRMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-8-7-16(13-18-17)20-11-9-19(10-12-20)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine?
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine is sourced from PubChem (CID 138460517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).