1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine

C97H131N17O — CID 161331172

IUPAC1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3cc(C(C)C)no3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cn3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C4CC4)cc3)CC2)nc1
InChIInChI=1S/C21H29N3.C20H25N3.C20H27N3.C19H26N4.C17H24N4O/c1-17-5-10-20(22-15-17)24-13-11-23(12-14-24)16-18-6-8-19(9-7-18)21(2,3)4;1-16-2-9-20(21-14-16)23-12-10-22(11-13-23)15-17-3-5-18(6-4-17)19-7-8-19;1-16(2)19-7-5-18(6-8-19)15-22-10-12-23(13-11-22)20-9-4-17(3)14-21-20;1-15(2)17-5-6-18(20-13-17)14-22-8-10-23(11-9-22)19-7-4-16(3)12-21-19;1-13(2)16-10-15(22-19-16)12-20-6-8-21(9-7-20)17-5-4-14(3)11-18-17/h5-10,15H,11-14,16H2,1-4H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;4-9,14,16H,10-13,15H2,1-3H3;4-7,12-13,15H,8-11,14H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyVLKZGOYCMYJQPB-UHFFFAOYSA-N
MW1551.23 g/mol
LogP17.49
Rot. Bonds19

About 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine

1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine (PubChem CID 161331172) has the molecular formula C97H131N17O and a molecular weight of 1551.23 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
PubChem CID161331172
Molecular FormulaC97H131N17O
Molecular Weight1551.23 g/mol
Exact Mass1550.07
IUPAC Name1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3cc(C(C)C)no3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cn3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C4CC4)cc3)CC2)nc1
InChIInChI=1S/C21H29N3.C20H25N3.C20H27N3.C19H26N4.C17H24N4O/c1-17-5-10-20(22-15-17)24-13-11-23(12-14-24)16-18-6-8-19(9-7-18)21(2,3)4;1-16-2-9-20(21-14-16)23-12-10-22(11-13-23)15-17-3-5-18(6-4-17)19-7-8-19;1-16(2)19-7-5-18(6-8-19)15-22-10-12-23(13-11-22)20-9-4-17(3)14-21-20;1-15(2)17-5-6-18(20-13-17)14-22-8-10-23(11-9-22)19-7-4-16(3)12-21-19;1-13(2)16-10-15(22-19-16)12-20-6-8-21(9-7-20)17-5-4-14(3)11-18-17/h5-10,15H,11-14,16H2,1-4H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;4-9,14,16H,10-13,15H2,1-3H3;4-7,12-13,15H,8-11,14H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyVLKZGOYCMYJQPB-UHFFFAOYSA-N
XLogP17.49
TPSA135.77 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.23
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butyl-2-methylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethanone;N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 159415490
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
1-[(4-tert-butylphenyl)methyl]-4-[(2-chloro-5-propan-2-ylphenyl)methyl]piperazine
CID 155160518
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
1-[2-methyl-1-(6-propan-2-yl-3-pyridinyl)propan-2-yl]-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 135279252
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
4-[1-[4-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]ethyl]pyridin-2-amine
CID 71176267
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine (CID 161331172) is 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine is Cc1ccc(N2CCN(Cc3cc(C(C)C)no3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C(C)C)cn3)CC2)nc1.Cc1ccc(N2CCN(Cc3ccc(C4CC4)cc3)CC2)nc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
The InChIKey is VLKZGOYCMYJQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3.C20H25N3.C20H27N3.C19H26N4.C17H24N4O/c1-17-5-10-20(22-15-17)24-13-11-23(12-14-24)16-18-6-8-19(9-7-18)21(2,3)4;1-16-2-9-20(21-14-16)23-12-10-22(11-13-23)15-17-3-5-18(6-4-17)19-7-8-19;1-16(2)19-7-5-18(6-8-19)15-22-10-12-23(13-11-22)20-9-4-17(3)14-21-20;1-15(2)17-5-6-18(20-13-17)14-22-8-10-23(11-9-22)19-7-4-16(3)12-21-19;1-13(2)16-10-15(22-19-16)12-20-6-8-21(9-7-20)17-5-4-14(3)11-18-17/h5-10,15H,11-14,16H2,1-4H3;2-6,9,14,19H,7-8,10-13,15H2,1H3;4-9,14,16H,10-13,15H2,1-3H3;4-7,12-13,15H,8-11,14H2,1-3H3;4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine?
1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine has a molecular weight of 1551.23 g/mol, XLogP of 17.49, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;1-[(4-cyclopropylphenyl)methyl]-4-(5-methyl-2-pyridinyl)piperazine;5-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole;1-(5-methyl-2-pyridinyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-(5-methyl-2-pyridinyl)-4-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 161331172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).