1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

C19H33ClN2O3 — CID 6602760

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCN(CCO)CC2)ccc1C(C)C.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-15(2)19-5-4-18(12-16(19)3)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22;/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3;1H
InChIKeyUMWNALTWKCAWJJ-UHFFFAOYSA-N
MW372.94 g/mol
LogP1.89
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 6602760) has the molecular formula C19H33ClN2O3 and a molecular weight of 372.94 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID6602760
Molecular FormulaC19H33ClN2O3
Molecular Weight372.94 g/mol
Exact Mass372.22
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCN(CCO)CC2)ccc1C(C)C.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-15(2)19-5-4-18(12-16(19)3)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22;/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3;1H
InChIKeyUMWNALTWKCAWJJ-UHFFFAOYSA-N
XLogP1.89
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 6602760) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is Cc1cc(OCC(O)CN2CCN(CCO)CC2)ccc1C(C)C.Cl.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is UMWNALTWKCAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3.ClH/c1-15(2)19-5-4-18(12-16(19)3)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22;/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3;1H.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 6602760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).