1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol

C15H21ClN2O — CID 62909724

IUPAC1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3
InChIKeyDCXLAYSQMUMJPX-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol

1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol (PubChem CID 62909724) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
PubChem CID62909724
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3
InChIKeyDCXLAYSQMUMJPX-UHFFFAOYSA-N
XLogP2.68
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909726
(1S)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chlorophenyl]ethanol
CID 79935263
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]ethanol
CID 65282858
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 62908706

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol (CID 62909724) is 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol is CC(O)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is DCXLAYSQMUMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(19)12-2-5-15(14(16)10-12)18-8-6-17(7-9-18)13-3-4-13/h2,5,10-11,13,19H,3-4,6-9H2,1H3.
What are the key properties of 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol?
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 280.80 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 62909724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).