2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol

C9H20N2O — CID 104977369

IUPAC2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
SMILESCC(CO)CN1CCN[C@@H](C)C1
InChIInChI=1S/C9H20N2O/c1-8(7-12)5-11-4-3-10-9(2)6-11/h8-10,12H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyUJNCVTSNWZWYRM-GKAPJAKFSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol

2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol (PubChem CID 104977369) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
PubChem CID104977369
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol
SMILESCC(CO)CN1CCN[C@@H](C)C1
InChIInChI=1S/C9H20N2O/c1-8(7-12)5-11-4-3-10-9(2)6-11/h8-10,12H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyUJNCVTSNWZWYRM-GKAPJAKFSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol (CID 104977369) is 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol is CC(CO)CN1CCN[C@@H](C)C1.
What is the InChIKey of 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol?
The InChIKey is UJNCVTSNWZWYRM-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(7-12)5-11-4-3-10-9(2)6-11/h8-10,12H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol?
2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-3-methylpiperazin-1-yl]propan-1-ol is sourced from PubChem (CID 104977369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).