N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C17H34N4 — CID 63898746

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C17H34N4/c1-15(2)5-8-21-9-6-16(7-10-21)18-13-17-14-19(3)11-12-20(17)4/h5,16-18H,6-14H2,1-4H3
InChIKeyTZVJLJAEBCIVES-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.25
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 63898746) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID63898746
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C17H34N4/c1-15(2)5-8-21-9-6-16(7-10-21)18-13-17-14-19(3)11-12-20(17)4/h5,16-18H,6-14H2,1-4H3
InChIKeyTZVJLJAEBCIVES-UHFFFAOYSA-N
XLogP1.25
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 63898746) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC2CN(C)CCN2C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is TZVJLJAEBCIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15(2)5-8-21-9-6-16(7-10-21)18-13-17-14-19(3)11-12-20(17)4/h5,16-18H,6-14H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 294.49 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 63898746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).