1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

C20H27N3O — CID 24785142

IUPAC1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N3O/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18/h2-8,15,20,24H,9-14,16H2,1H3
InChIKeyLIGDUUUQXMFHHT-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.28
Rot. Bonds6

About 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (PubChem CID 24785142) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
PubChem CID24785142
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N3O/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18/h2-8,15,20,24H,9-14,16H2,1H3
InChIKeyLIGDUUUQXMFHHT-UHFFFAOYSA-N
XLogP2.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (CID 24785142) is 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is Cc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The InChIKey is LIGDUUUQXMFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18/h2-8,15,20,24H,9-14,16H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol has a molecular weight of 325.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 24785142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).