2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C19H24ClN3O — CID 70755922

IUPAC2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(c3ncccc3Cl)CC2CCO)cc1
InChIInChI=1S/C19H24ClN3O/c1-15-4-6-16(7-5-15)13-22-10-11-23(14-17(22)8-12-24)19-18(20)3-2-9-21-19/h2-7,9,17,24H,8,10-14H2,1H3
InChIKeyVXMQLWPDURYMBP-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 70755922) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID70755922
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(c3ncccc3Cl)CC2CCO)cc1
InChIInChI=1S/C19H24ClN3O/c1-15-4-6-16(7-5-15)13-22-10-11-23(14-17(22)8-12-24)19-18(20)3-2-9-21-19/h2-7,9,17,24H,8,10-14H2,1H3
InChIKeyVXMQLWPDURYMBP-UHFFFAOYSA-N
XLogP3.12
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 70755922) is 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(c3ncccc3Cl)CC2CCO)cc1.
What is the InChIKey of 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is VXMQLWPDURYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-15-4-6-16(7-5-15)13-22-10-11-23(14-17(22)8-12-24)19-18(20)3-2-9-21-19/h2-7,9,17,24H,8,10-14H2,1H3.
What are the key properties of 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 345.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 70755922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).