1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine

C136H218ClF3N30O6 — CID 161226573

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/6C14H23N3O.C13H20ClN3.3C13H20FN3/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h8-10,12H,4-7,11H2,1-3H3;3*4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3
InChIKeyUYEZUUUPWQBSAD-UHFFFAOYSA-N
MW2461.89 g/mol
LogP17.20
Rot. Bonds36

About 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine

1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 161226573) has the molecular formula C136H218ClF3N30O6 and a molecular weight of 2461.89 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
PubChem CID161226573
Molecular FormulaC136H218ClF3N30O6
Molecular Weight2461.89 g/mol
Exact Mass2459.73
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1
InChIInChI=1S/6C14H23N3O.C13H20ClN3.3C13H20FN3/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h8-10,12H,4-7,11H2,1-3H3;3*4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3
InChIKeyUYEZUUUPWQBSAD-UHFFFAOYSA-N
XLogP17.20
TPSA249.08 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.89
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine (CID 161226573) is 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(Cc2ccncc2F)CC1.CC(C)N1CCN(Cc2cncc(Cl)c2)CC1.CC(C)N1CCN(Cc2cncc(F)c2)CC1.CC(C)N1CCN(Cc2ncccc2F)CC1.COc1cc(CN2CCN(C(C)C)CC2)ccn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccc(CN2CCN(C(C)C)CC2)n1.COc1cncc(CN2CCN(C(C)C)CC2)c1.COc1ncccc1CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is UYEZUUUPWQBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H23N3O.C13H20ClN3.3C13H20FN3/c1-12(2)17-6-4-16(5-7-17)11-13-8-14(18-3)10-15-9-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-15-14(10-13)18-3;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-15-14(13)18-3;1-12(2)17-9-7-16(8-10-17)11-13-5-4-6-14(15-13)18-3;2*1-11(2)17-5-3-16(4-6-17)10-12-7-13(14)9-15-8-12;1-11(2)17-7-5-16(6-8-17)10-12-3-4-15-9-13(12)14;1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h8-10,12H,4-7,11H2,1-3H3;3*4-5,10,12H,6-9,11H2,1-3H3;2*4-6,12H,7-11H2,1-3H3;2*7-9,11H,3-6,10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 2461.89 g/mol, XLogP of 17.20, 36 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-fluoro-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2-methoxy-4-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 161226573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).