2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol

C22H31N3O — CID 70746652

IUPAC2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
SMILESCc1cccnc1N1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1
InChIInChI=1S/C22H31N3O/c1-18-5-4-12-23-21(18)25-15-13-24(14-16-25)17-20-8-6-19(7-9-20)10-11-22(2,3)26/h4-9,12,26H,10-11,13-17H2,1-3H3
InChIKeyKDAFCLDTAZYWBX-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol

2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol (PubChem CID 70746652) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
PubChem CID70746652
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
SMILESCc1cccnc1N1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1
InChIInChI=1S/C22H31N3O/c1-18-5-4-12-23-21(18)25-15-13-24(14-16-25)17-20-8-6-19(7-9-20)10-11-22(2,3)26/h4-9,12,26H,10-11,13-17H2,1-3H3
InChIKeyKDAFCLDTAZYWBX-UHFFFAOYSA-N
XLogP3.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
CID 56865842
4-[4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70728906
2-[[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 70729328
2-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]propan-2-ol
CID 173123484
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
2-[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 70744337
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol (CID 70746652) is 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol is Cc1cccnc1N1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1.
What is the InChIKey of 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol?
The InChIKey is KDAFCLDTAZYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-18-5-4-12-23-21(18)25-15-13-24(14-16-25)17-20-8-6-19(7-9-20)10-11-22(2,3)26/h4-9,12,26H,10-11,13-17H2,1-3H3.
What are the key properties of 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol has a molecular weight of 353.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol is sourced from PubChem (CID 70746652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).