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

C8H18N2O — CID 39235507

IUPAC(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C8H18N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPCAFNJDUSMKKHJ-MRVPVSSYSA-N
MW158.25 g/mol
LogP-0.39
Rot. Bonds2

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

(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 39235507) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID39235507
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol
SMILESC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C8H18N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPCAFNJDUSMKKHJ-MRVPVSSYSA-N
XLogP-0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol (CID 39235507) is (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol is C[C@@H](O)CN1CCN(C)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is PCAFNJDUSMKKHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol?
(2R)-1-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 39235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).