1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol

C11H25N3O2 — CID 63930922

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC1CN(C)CCN1C
InChIInChI=1S/C11H25N3O2/c1-13-4-5-14(2)10(8-13)6-12-7-11(15)9-16-3/h10-12,15H,4-9H2,1-3H3
InChIKeyMWEDDKZYQYYSHW-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.17
Rot. Bonds6

About 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol

1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol (PubChem CID 63930922) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
PubChem CID63930922
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC1CN(C)CCN1C
InChIInChI=1S/C11H25N3O2/c1-13-4-5-14(2)10(8-13)6-12-7-11(15)9-16-3/h10-12,15H,4-9H2,1-3H3
InChIKeyMWEDDKZYQYYSHW-UHFFFAOYSA-N
XLogP-1.17
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol (CID 63930922) is 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol is COCC(O)CNCC1CN(C)CCN1C.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol?
The InChIKey is MWEDDKZYQYYSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-13-4-5-14(2)10(8-13)6-12-7-11(15)9-16-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol?
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol has a molecular weight of 231.34 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63930922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).