1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine

C15H28N2O — CID 54932188

IUPAC1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)3-7-17-8-4-15(5-9-17)16-11-14-6-10-18-12-14/h3,14-16H,4-12H2,1-2H3
InChIKeyFRWIUYYHRBPEMA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 54932188) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID54932188
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)3-7-17-8-4-15(5-9-17)16-11-14-6-10-18-12-14/h3,14-16H,4-12H2,1-2H3
InChIKeyFRWIUYYHRBPEMA-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 54932188) is 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC2CCOC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is FRWIUYYHRBPEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)3-7-17-8-4-15(5-9-17)16-11-14-6-10-18-12-14/h3,14-16H,4-12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 54932188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).