(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol

C16H26N2O4 — CID 29169851

IUPAC(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C16H26N2O4/c1-21-15-4-2-3-5-16(15)22-13-14(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,14,19-20H,6-13H2,1H3/t14-/m1/s1
InChIKeyIJWOTKAOBJCXNC-CQSZACIVSA-N
MW310.39 g/mol
LogP0.04
Rot. Bonds8

About (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 29169851) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID29169851
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@H](O)CN1CCN(CCO)CC1
InChIInChI=1S/C16H26N2O4/c1-21-15-4-2-3-5-16(15)22-13-14(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,14,19-20H,6-13H2,1H3/t14-/m1/s1
InChIKeyIJWOTKAOBJCXNC-CQSZACIVSA-N
XLogP0.04
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3522870
1-(2,6-dimethoxyphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16806863
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-(2,6-dimethylphenoxy)-3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 54598123
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol dichloride
CID 21237632
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol (CID 29169851) is (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OC[C@H](O)CN1CCN(CCO)CC1.
What is the InChIKey of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is IJWOTKAOBJCXNC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-21-15-4-2-3-5-16(15)22-13-14(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,14,19-20H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol?
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 310.39 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 29169851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).