1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

C17H34N4 — CID 60924819

IUPAC1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4/c1-16(2)4-8-20-9-5-17(6-10-20)18-7-11-21-14-12-19(3)13-15-21/h4,17-18H,5-15H2,1-3H3
InChIKeyVLKMFKNGQFOKFX-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.25
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 60924819) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID60924819
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4/c1-16(2)4-8-20-9-5-17(6-10-20)18-7-11-21-14-12-19(3)13-15-21/h4,17-18H,5-15H2,1-3H3
InChIKeyVLKMFKNGQFOKFX-UHFFFAOYSA-N
XLogP1.25
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 60924819) is 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)=CCN1CCC(NCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is VLKMFKNGQFOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-16(2)4-8-20-9-5-17(6-10-20)18-7-11-21-14-12-19(3)13-15-21/h4,17-18H,5-15H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 294.49 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 60924819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).