(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol

C30H48N4O2 — CID 158643364

IUPAC(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol
SMILESC[C@@H]1CN([C@@H](c2ccccc2)C(C)(C)O)CCN1.C[C@@H]1CN([C@H](c2ccccc2)C(C)(C)O)CCN1
InChIInChI=1S/2C15H24N2O/c2*1-12-11-17(10-9-16-12)14(15(2,3)18)13-7-5-4-6-8-13/h2*4-8,12,14,16,18H,9-11H2,1-3H3/t12-,14+;12-,14-/m11/s1
InChIKeyIAQVGTXATOCZON-ZDTDWOPPSA-N
MW496.74 g/mol
LogP3.58
Rot. Bonds6

About (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol

(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol (PubChem CID 158643364) has the molecular formula C30H48N4O2 and a molecular weight of 496.74 g/mol. Its IUPAC name is (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol
PubChem CID158643364
Molecular FormulaC30H48N4O2
Molecular Weight496.74 g/mol
Exact Mass496.38
IUPAC Name(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol
SMILESC[C@@H]1CN([C@@H](c2ccccc2)C(C)(C)O)CCN1.C[C@@H]1CN([C@H](c2ccccc2)C(C)(C)O)CCN1
InChIInChI=1S/2C15H24N2O/c2*1-12-11-17(10-9-16-12)14(15(2,3)18)13-7-5-4-6-8-13/h2*4-8,12,14,16,18H,9-11H2,1-3H3/t12-,14+;12-,14-/m11/s1
InChIKeyIAQVGTXATOCZON-ZDTDWOPPSA-N
XLogP3.58
TPSA71.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.74
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol?
The IUPAC name of (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol (CID 158643364) is (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol.
What is the SMILES notation for (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol?
The canonical SMILES for (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol is C[C@@H]1CN([C@@H](c2ccccc2)C(C)(C)O)CCN1.C[C@@H]1CN([C@H](c2ccccc2)C(C)(C)O)CCN1.
What is the InChIKey of (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol?
The InChIKey is IAQVGTXATOCZON-ZDTDWOPPSA-N. The full InChI is InChI=1S/2C15H24N2O/c2*1-12-11-17(10-9-16-12)14(15(2,3)18)13-7-5-4-6-8-13/h2*4-8,12,14,16,18H,9-11H2,1-3H3/t12-,14+;12-,14-/m11/s1.
What are the key properties of (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol?
(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol has a molecular weight of 496.74 g/mol, XLogP of 3.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol is sourced from PubChem (CID 158643364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).