(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine

C9H19N3O — CID 143677984

IUPAC(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine
SMILESC/C(N)=C/OCN1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-9(10)7-13-8-12-5-3-11(2)4-6-12/h7H,3-6,8,10H2,1-2H3/b9-7-
InChIKeyWSTXCNGBUHXEMA-CLFYSBASSA-N
MW185.27 g/mol
LogP0.03
Rot. Bonds3

About (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine

(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine (PubChem CID 143677984) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine
PubChem CID143677984
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine
SMILESC/C(N)=C/OCN1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-9(10)7-13-8-12-5-3-11(2)4-6-12/h7H,3-6,8,10H2,1-2H3/b9-7-
InChIKeyWSTXCNGBUHXEMA-CLFYSBASSA-N
XLogP0.03
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine (CID 143677984) is (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine is C/C(N)=C/OCN1CCN(C)CC1.
What is the InChIKey of (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine?
The InChIKey is WSTXCNGBUHXEMA-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(10)7-13-8-12-5-3-11(2)4-6-12/h7H,3-6,8,10H2,1-2H3/b9-7-.
What are the key properties of (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine?
(Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine has a molecular weight of 185.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(4-methylpiperazin-1-yl)methoxy]prop-1-en-2-amine is sourced from PubChem (CID 143677984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).