(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol

C17H28N2O2 — CID 7393596

IUPAC(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
SMILESC[C@@H](COC[C@H](O)CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-15(16-6-4-3-5-7-16)13-21-14-17(20)12-19-10-8-18(2)9-11-19/h3-7,15,17,20H,8-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyNOFWBZNOYUENPG-DOTOQJQBSA-N
MW292.42 g/mol
LogP1.41
Rot. Bonds7

About (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol

(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol (PubChem CID 7393596) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
PubChem CID7393596
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
SMILESC[C@@H](COC[C@H](O)CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-15(16-6-4-3-5-7-16)13-21-14-17(20)12-19-10-8-18(2)9-11-19/h3-7,15,17,20H,8-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyNOFWBZNOYUENPG-DOTOQJQBSA-N
XLogP1.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-phenylpropoxy)propan-2-ol
CID 18884586
1-(2-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18884587
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 7165470
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
CID 134429316
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol (CID 7393596) is (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol is C[C@@H](COC[C@H](O)CN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol?
The InChIKey is NOFWBZNOYUENPG-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15(16-6-4-3-5-7-16)13-21-14-17(20)12-19-10-8-18(2)9-11-19/h3-7,15,17,20H,8-14H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol?
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol is sourced from PubChem (CID 7393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).