2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol

C8H17N3O — CID 145331028

IUPAC2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol
SMILESCN1CCN/C(=C\NCCO)C1
InChIInChI=1S/C8H17N3O/c1-11-4-2-10-8(7-11)6-9-3-5-12/h6,9-10,12H,2-5,7H2,1H3/b8-6-
InChIKeyBDKLYPCDEIHUNC-VURMDHGXSA-N
MW171.24 g/mol
LogP-1.06
Rot. Bonds3

About 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol

2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol (PubChem CID 145331028) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol
PubChem CID145331028
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol
SMILESCN1CCN/C(=C\NCCO)C1
InChIInChI=1S/C8H17N3O/c1-11-4-2-10-8(7-11)6-9-3-5-12/h6,9-10,12H,2-5,7H2,1H3/b8-6-
InChIKeyBDKLYPCDEIHUNC-VURMDHGXSA-N
XLogP-1.06
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol (CID 145331028) is 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol is CN1CCN/C(=C\NCCO)C1.
What is the InChIKey of 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol?
The InChIKey is BDKLYPCDEIHUNC-VURMDHGXSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11-4-2-10-8(7-11)6-9-3-5-12/h6,9-10,12H,2-5,7H2,1H3/b8-6-.
What are the key properties of 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol?
2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol has a molecular weight of 171.24 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-(4-methylpiperazin-2-ylidene)methyl]amino]ethanol is sourced from PubChem (CID 145331028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).