1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

C104H168F4N22O5 — CID 158191429

IUPAC1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)nc2)CC1.COc1ccc(CN2CCN(C(C)C)C(=O)C2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)c(C)n1.COc1ncc(CN2CCN(C(C)C)CC2)cc1C.COc1ncc(CN2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H29N3.C15H26N4.2C15H25N3O.C14H20F3N3.C14H22FN3O.C14H21N3O2/c1-14(2)20-10-8-19(9-11-20)13-15-6-7-16(18-12-15)17(3,4)5;1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(16-11-14)17(3)4;1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14;1-12(2)18-9-7-17(8-10-18)11-14-5-6-15(19-4)16-13(14)3;1-11(2)20-7-5-19(6-8-20)10-12-3-4-13(18-9-12)14(15,16)17;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)17-7-6-16(10-14(17)18)9-12-4-5-13(19-3)15-8-12/h6-7,12,14H,8-11,13H2,1-5H3;5-6,11,13H,7-10,12H2,1-4H3;9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyFZULWUSITSJJNR-UHFFFAOYSA-N
MW1882.63 g/mol
LogP13.95
Rot. Bonds26

About 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 158191429) has the molecular formula C104H168F4N22O5 and a molecular weight of 1882.63 g/mol. Its IUPAC name is 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
PubChem CID158191429
Molecular FormulaC104H168F4N22O5
Molecular Weight1882.63 g/mol
Exact Mass1881.35
IUPAC Name1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)nc2)CC1.COc1ccc(CN2CCN(C(C)C)C(=O)C2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)c(C)n1.COc1ncc(CN2CCN(C(C)C)CC2)cc1C.COc1ncc(CN2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H29N3.C15H26N4.2C15H25N3O.C14H20F3N3.C14H22FN3O.C14H21N3O2/c1-14(2)20-10-8-19(9-11-20)13-15-6-7-16(18-12-15)17(3,4)5;1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(16-11-14)17(3)4;1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14;1-12(2)18-9-7-17(8-10-18)11-14-5-6-15(19-4)16-13(14)3;1-11(2)20-7-5-19(6-8-20)10-12-3-4-13(18-9-12)14(15,16)17;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)17-7-6-16(10-14(17)18)9-12-4-5-13(19-3)15-8-12/h6-7,12,14H,8-11,13H2,1-5H3;5-6,11,13H,7-10,12H2,1-4H3;9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyFZULWUSITSJJNR-UHFFFAOYSA-N
XLogP13.95
TPSA192.82 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.63
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752874
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
1-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-2-one
CID 77091740
1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 158983749
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945214
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126877477
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
2-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943280

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (CID 158191429) is 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is CC(C)N1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)nc2)CC1.COc1ccc(CN2CCN(C(C)C)C(=O)C2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)c(C)n1.COc1ncc(CN2CCN(C(C)C)CC2)cc1C.COc1ncc(CN2CCN(C(C)C)CC2)cc1F.
What is the InChIKey of 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is FZULWUSITSJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3.C15H26N4.2C15H25N3O.C14H20F3N3.C14H22FN3O.C14H21N3O2/c1-14(2)20-10-8-19(9-11-20)13-15-6-7-16(18-12-15)17(3,4)5;1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(16-11-14)17(3)4;1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14;1-12(2)18-9-7-17(8-10-18)11-14-5-6-15(19-4)16-13(14)3;1-11(2)20-7-5-19(6-8-20)10-12-3-4-13(18-9-12)14(15,16)17;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)17-7-6-16(10-14(17)18)9-12-4-5-13(19-3)15-8-12/h6-7,12,14H,8-11,13H2,1-5H3;5-6,11,13H,7-10,12H2,1-4H3;9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 1882.63 g/mol, XLogP of 13.95, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 158191429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).