(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol

C32H54N4O4 — CID 7155116

IUPAC(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@@H](COc1ccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)cc1)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C32H54N4O4/c37-29(23-33-15-19-35(20-16-33)27-7-3-1-4-8-27)25-39-31-11-13-32(14-12-31)40-26-30(38)24-34-17-21-36(22-18-34)28-9-5-2-6-10-28/h11-14,27-30,37-38H,1-10,15-26H2/t29-,30-/m1/s1
InChIKeyZQTPIXUPMYTRFD-LOYHVIPDSA-N
MW558.81 g/mol
LogP3.07
Rot. Bonds12

About (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol

(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 7155116) has the molecular formula C32H54N4O4 and a molecular weight of 558.81 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID7155116
Molecular FormulaC32H54N4O4
Molecular Weight558.81 g/mol
Exact Mass558.41
IUPAC Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESO[C@@H](COc1ccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)cc1)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C32H54N4O4/c37-29(23-33-15-19-35(20-16-33)27-7-3-1-4-8-27)25-39-31-11-13-32(14-12-31)40-26-30(38)24-34-17-21-36(22-18-34)28-9-5-2-6-10-28/h11-14,27-30,37-38H,1-10,15-26H2/t29-,30-/m1/s1
InChIKeyZQTPIXUPMYTRFD-LOYHVIPDSA-N
XLogP3.07
TPSA71.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111108788
1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110887797
1-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 118131567
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733
1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
CID 61439939
1-(4-cyclohexylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44787153
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
(2R)-1-(4-methylpiperazin-1-yl)-3-[4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97281126
(2S)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-[4-[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 94249691
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 7155116) is (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol is O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(C3CCCCC3)CC2)cc1)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is ZQTPIXUPMYTRFD-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H54N4O4/c37-29(23-33-15-19-35(20-16-33)27-7-3-1-4-8-27)25-39-31-11-13-32(14-12-31)40-26-30(38)24-34-17-21-36(22-18-34)28-9-5-2-6-10-28/h11-14,27-30,37-38H,1-10,15-26H2/t29-,30-/m1/s1.
What are the key properties of (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 558.81 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 7155116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).