(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone

C15H20N2O2 — CID 2995586

IUPAC(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-12-19-14-6-4-13(5-7-14)15(18)17-10-8-16(2)9-11-17/h3-7H,1,8-12H2,2H3
InChIKeyBRMNGVNPISIODD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds4

About (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone

(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone (PubChem CID 2995586) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
PubChem CID2995586
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-12-19-14-6-4-13(5-7-14)15(18)17-10-8-16(2)9-11-17/h3-7H,1,8-12H2,2H3
InChIKeyBRMNGVNPISIODD-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 95857412
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 131690314
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55644401
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 43059571
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55570724
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone (CID 2995586) is (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
The InChIKey is BRMNGVNPISIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12-19-14-6-4-13(5-7-14)15(18)17-10-8-16(2)9-11-17/h3-7H,1,8-12H2,2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone?
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 2995586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).