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

C9H21N3O — CID 810604

IUPAC(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCNC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVCDXYRUOTHQYNM-SECBINFHSA-N
MW187.29 g/mol
LogP-1.19
Rot. Bonds4

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

(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 810604) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID810604
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCNC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVCDXYRUOTHQYNM-SECBINFHSA-N
XLogP-1.19
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 810604) is (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol is CNC[C@@H](O)CN1CCN(C)CC1.
What is the InChIKey of (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is VCDXYRUOTHQYNM-SECBINFHSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10-7-9(13)8-12-5-3-11(2)4-6-12/h9-10,13H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 187.29 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).