1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol

C15H23ClN2O2 — CID 82263354

IUPAC1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCCOc1ccc(Cl)cc1C(O)C(C)N1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-3-20-14-5-4-12(16)10-13(14)15(19)11(2)18-8-6-17-7-9-18/h4-5,10-11,15,17,19H,3,6-9H2,1-2H3
InChIKeyMFCXUNXQRVPLNI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.07
Rot. Bonds5

About 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol

1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 82263354) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
PubChem CID82263354
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCCOc1ccc(Cl)cc1C(O)C(C)N1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-3-20-14-5-4-12(16)10-13(14)15(19)11(2)18-8-6-17-7-9-18/h4-5,10-11,15,17,19H,3,6-9H2,1-2H3
InChIKeyMFCXUNXQRVPLNI-UHFFFAOYSA-N
XLogP2.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
(3S)-3-(5-chloro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95486981
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide
CID 61254178
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol (CID 82263354) is 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol is CCOc1ccc(Cl)cc1C(O)C(C)N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is MFCXUNXQRVPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-20-14-5-4-12(16)10-13(14)15(19)11(2)18-8-6-17-7-9-18/h4-5,10-11,15,17,19H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol?
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 298.81 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).