1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol

C14H21ClN2O2 — CID 62908356

IUPAC1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(CCO)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-11(19)12-2-3-14(13(15)10-12)17-6-4-16(5-7-17)8-9-18/h2-3,10-11,18-19H,4-9H2,1H3
InChIKeySZDKFUTZQGGTMO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol

1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol (PubChem CID 62908356) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
PubChem CID62908356
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(CCO)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-11(19)12-2-3-14(13(15)10-12)17-6-4-16(5-7-17)8-9-18/h2-3,10-11,18-19H,4-9H2,1H3
InChIKeySZDKFUTZQGGTMO-UHFFFAOYSA-N
XLogP1.51
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-chloro-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanol
CID 63371719
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 62908706
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 62909682
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol (CID 62908356) is 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol is CC(O)c1ccc(N2CCN(CCO)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol?
The InChIKey is SZDKFUTZQGGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(19)12-2-3-14(13(15)10-12)17-6-4-16(5-7-17)8-9-18/h2-3,10-11,18-19H,4-9H2,1H3.
What are the key properties of 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol?
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol has a molecular weight of 284.79 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol is sourced from PubChem (CID 62908356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).