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2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

C22H31N3O2 — CID 70779571

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(C)c1C
InChIInChI=1S/C22H31N3O2/c1-17-18(2)22(27-3)7-6-20(17)15-25-11-10-24(16-21(25)8-12-26)14-19-5-4-9-23-13-19/h4-7,9,13,21,26H,8,10-12,14-16H2,1-3H3
InChIKeyBNKSKYJEIVIHOO-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.78
Rot. Bonds7

About 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 70779571) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID70779571
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(C)c1C
InChIInChI=1S/C22H31N3O2/c1-17-18(2)22(27-3)7-6-20(17)15-25-11-10-24(16-21(25)8-12-26)14-19-5-4-9-23-13-19/h4-7,9,13,21,26H,8,10-12,14-16H2,1-3H3
InChIKeyBNKSKYJEIVIHOO-UHFFFAOYSA-N
XLogP2.78
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (CID 70779571) is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3cccnc3)CC2CCO)c(C)c1C.
What is the InChIKey of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is BNKSKYJEIVIHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-18(2)22(27-3)7-6-20(17)15-25-11-10-24(16-21(25)8-12-26)14-19-5-4-9-23-13-19/h4-7,9,13,21,26H,8,10-12,14-16H2,1-3H3.
What are the key properties of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 369.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 70779571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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