1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol

C17H28N2O2 — CID 86928518

IUPAC1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19-10-8-18(9-11-19)12-16(20)13-21-17-6-4-15(3)5-7-17/h4-7,14,16,20H,8-13H2,1-3H3
InChIKeyJBFZPWFDDZUSOX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol

1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 86928518) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID86928518
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1ccc(OCC(O)CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)19-10-8-18(9-11-19)12-16(20)13-21-17-6-4-15(3)5-7-17/h4-7,14,16,20H,8-13H2,1-3H3
InChIKeyJBFZPWFDDZUSOX-UHFFFAOYSA-N
XLogP1.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(3,5-dimethylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 110887833
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 51623853
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (CID 86928518) is 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is Cc1ccc(OCC(O)CN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is JBFZPWFDDZUSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)19-10-8-18(9-11-19)12-16(20)13-21-17-6-4-15(3)5-7-17/h4-7,14,16,20H,8-13H2,1-3H3.
What are the key properties of 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 86928518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).