2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol

C16H17Cl2N3O — CID 142099057

IUPAC2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N3O/c17-15-12(4-5-13(22)16(15)18)11-20-7-9-21(10-8-20)14-3-1-2-6-19-14/h1-6,22H,7-11H2
InChIKeyUYBPUNUJGSWOSE-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.42
Rot. Bonds3

About 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol

2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol (PubChem CID 142099057) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
PubChem CID142099057
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N3O/c17-15-12(4-5-13(22)16(15)18)11-20-7-9-21(10-8-20)14-3-1-2-6-19-14/h1-6,22H,7-11H2
InChIKeyUYBPUNUJGSWOSE-UHFFFAOYSA-N
XLogP3.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol (CID 142099057) is 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol is Oc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol?
The InChIKey is UYBPUNUJGSWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-15-12(4-5-13(22)16(15)18)11-20-7-9-21(10-8-20)14-3-1-2-6-19-14/h1-6,22H,7-11H2.
What are the key properties of 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol?
2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol has a molecular weight of 338.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 142099057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).