1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine

C30H35N7 — CID 159041794

IUPAC1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine
SMILESc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C21H22N4.C9H13N3/c1-2-6-19(7-3-1)20-14-18(15-22-16-20)17-24-10-12-25(13-11-24)21-8-4-5-9-23-21;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-9,14-16H,10-13,17H2;1-4,10H,5-8H2
InChIKeyJWDOBPNWVCLUEL-UHFFFAOYSA-N
MW493.66 g/mol
LogP3.96
Rot. Bonds5

About 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine

1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine (PubChem CID 159041794) has the molecular formula C30H35N7 and a molecular weight of 493.66 g/mol. Its IUPAC name is 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine
PubChem CID159041794
Molecular FormulaC30H35N7
Molecular Weight493.66 g/mol
Exact Mass493.30
IUPAC Name1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine
SMILESc1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C21H22N4.C9H13N3/c1-2-6-19(7-3-1)20-14-18(15-22-16-20)17-24-10-12-25(13-11-24)21-8-4-5-9-23-21;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-9,14-16H,10-13,17H2;1-4,10H,5-8H2
InChIKeyJWDOBPNWVCLUEL-UHFFFAOYSA-N
XLogP3.96
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-4-[(5-phenyl-3-pyridinyl)methyl]piperazine;1-(2-methoxyphenyl)piperazine;dihydrate;trihydrochloride
CID 159209480
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
CID 21186124
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 10193294
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine (CID 159041794) is 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine is c1ccc(-c2cncc(CN3CCN(c4ccccn4)CC3)c2)cc1.c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine?
The InChIKey is JWDOBPNWVCLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4.C9H13N3/c1-2-6-19(7-3-1)20-14-18(15-22-16-20)17-24-10-12-25(13-11-24)21-8-4-5-9-23-21;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-9,14-16H,10-13,17H2;1-4,10H,5-8H2.
What are the key properties of 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine?
1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine has a molecular weight of 493.66 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-3-pyridinyl)methyl]-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine is sourced from PubChem (CID 159041794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).