3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol

C19H23ClN2O2 — CID 111750511

IUPAC3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(CC(O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c20-18-7-2-1-6-17(18)19(24)14-22-10-8-21(9-11-22)13-15-4-3-5-16(23)12-15/h1-7,12,19,23-24H,8-11,13-14H2
InChIKeyPKSSGWMRRNGFQL-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.90
Rot. Bonds5

About 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol

3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol (PubChem CID 111750511) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
PubChem CID111750511
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(CC(O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C19H23ClN2O2/c20-18-7-2-1-6-17(18)19(24)14-22-10-8-21(9-11-22)13-15-4-3-5-16(23)12-15/h1-7,12,19,23-24H,8-11,13-14H2
InChIKeyPKSSGWMRRNGFQL-UHFFFAOYSA-N
XLogP2.90
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
N-(2-chlorophenyl)-4-[(3-hydroxyphenyl)methyl]piperazine-1-carbothioamide
CID 100569705
4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
CID 19881633
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 111858425
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 75396630
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol (CID 111750511) is 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol is Oc1cccc(CN2CCN(CC(O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol?
The InChIKey is PKSSGWMRRNGFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-18-7-2-1-6-17(18)19(24)14-22-10-8-21(9-11-22)13-15-4-3-5-16(23)12-15/h1-7,12,19,23-24H,8-11,13-14H2.
What are the key properties of 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol?
3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol has a molecular weight of 346.86 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 111750511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).