1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride

C17H28Cl2N2O2 — CID 2938395

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C17H27ClN2O2.ClH/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3;/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3;1H
InChIKeyZYBKQWAFDASYKG-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.98
Rot. Bonds6

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 2938395) has the molecular formula C17H28Cl2N2O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride
PubChem CID2938395
Molecular FormulaC17H28Cl2N2O2
Molecular Weight363.33 g/mol
Exact Mass362.15
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C17H27ClN2O2.ClH/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3;/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3;1H
InChIKeyZYBKQWAFDASYKG-UHFFFAOYSA-N
XLogP2.98
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride (CID 2938395) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride is Cc1ccc(Cl)cc1N1CCN(CC(O)COC(C)C)CC1.Cl.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is ZYBKQWAFDASYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2.ClH/c1-13(2)22-12-16(21)11-19-6-8-20(9-7-19)17-10-15(18)5-4-14(17)3;/h4-5,10,13,16,21H,6-9,11-12H2,1-3H3;1H.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 363.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2938395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).