1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine

C14H27N3 — CID 170013093

IUPAC1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine
SMILESC=CC(=C)N1CCN(C(C)C)C(CN(C)C)C1
InChIInChI=1S/C14H27N3/c1-7-13(4)16-8-9-17(12(2)3)14(11-16)10-15(5)6/h7,12,14H,1,4,8-11H2,2-3,5-6H3
InChIKeyBNGHHFXYSUMZKL-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine

1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine (PubChem CID 170013093) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine
PubChem CID170013093
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine
SMILESC=CC(=C)N1CCN(C(C)C)C(CN(C)C)C1
InChIInChI=1S/C14H27N3/c1-7-13(4)16-8-9-17(12(2)3)14(11-16)10-15(5)6/h7,12,14H,1,4,8-11H2,2-3,5-6H3
InChIKeyBNGHHFXYSUMZKL-UHFFFAOYSA-N
XLogP1.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine (CID 170013093) is 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine is C=CC(=C)N1CCN(C(C)C)C(CN(C)C)C1.
What is the InChIKey of 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is BNGHHFXYSUMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-13(4)16-8-9-17(12(2)3)14(11-16)10-15(5)6/h7,12,14H,1,4,8-11H2,2-3,5-6H3.
What are the key properties of 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine?
1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 237.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 170013093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).