(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol

C16H26N2O3 — CID 29124618

IUPAC(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O3/c1-14-2-4-16(5-3-14)21-13-15(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,15,19-20H,6-13H2,1H3/t15-/m0/s1
InChIKeyRGJWPBRQLITFBG-HNNXBMFYSA-N
MW294.39 g/mol
LogP0.34
Rot. Bonds7

About (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol

(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 29124618) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
PubChem CID29124618
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O3/c1-14-2-4-16(5-3-14)21-13-15(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,15,19-20H,6-13H2,1H3/t15-/m0/s1
InChIKeyRGJWPBRQLITFBG-HNNXBMFYSA-N
XLogP0.34
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(4-aminophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 43575187
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 95859468
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol (CID 29124618) is (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1.
What is the InChIKey of (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is RGJWPBRQLITFBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-14-2-4-16(5-3-14)21-13-15(20)12-18-8-6-17(7-9-18)10-11-19/h2-5,15,19-20H,6-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol?
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 29124618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).