(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol

C15H24N2O2 — CID 8741482

IUPAC(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-13-3-5-15(6-4-13)19-12-14(18)11-17-9-7-16(2)8-10-17/h3-6,14,18H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyPBCOSPAMFIIICT-CQSZACIVSA-N
MW264.37 g/mol
LogP0.98
Rot. Bonds5

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

(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 8741482) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID8741482
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2O2/c1-13-3-5-15(6-4-13)19-12-14(18)11-17-9-7-16(2)8-10-17/h3-6,14,18H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyPBCOSPAMFIIICT-CQSZACIVSA-N
XLogP0.98
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
(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-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-methylphenoxy)-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 86928518
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 8741482) is (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is PBCOSPAMFIIICT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-3-5-15(6-4-13)19-12-14(18)11-17-9-7-16(2)8-10-17/h3-6,14,18H,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 8741482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).