1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine

C23H33N3O — CID 59019360

IUPAC1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(C(C)(C)C(C)C)cn3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)23(3,4)20-8-11-22(24-16-20)26-14-12-25(13-15-26)17-19-6-9-21(27-5)10-7-19/h6-11,16,18H,12-15,17H2,1-5H3
InChIKeyNCIDCTKLVRCYTJ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.35
Rot. Bonds6

About 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine

1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 59019360) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID59019360
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(C(C)(C)C(C)C)cn3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-18(2)23(3,4)20-8-11-22(24-16-20)26-14-12-25(13-15-26)17-19-6-9-21(27-5)10-7-19/h6-11,16,18H,12-15,17H2,1-5H3
InChIKeyNCIDCTKLVRCYTJ-UHFFFAOYSA-N
XLogP4.35
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine with MolForge

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Related Compounds

4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine
CID 142385803
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522768
1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine
CID 165056468
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine (CID 59019360) is 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3ccc(C(C)(C)C(C)C)cn3)CC2)cc1.
What is the InChIKey of 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is NCIDCTKLVRCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-18(2)23(3,4)20-8-11-22(24-16-20)26-14-12-25(13-15-26)17-19-6-9-21(27-5)10-7-19/h6-11,16,18H,12-15,17H2,1-5H3.
What are the key properties of 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine?
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 367.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 59019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).