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

C16H30N2O — CID 55014331

IUPAC1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCCO2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)6-9-18-10-7-15(8-11-18)17-13-16-5-3-4-12-19-16/h6,15-17H,3-5,7-13H2,1-2H3
InChIKeyNLTBGXLZKSBGHW-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.58
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine (PubChem CID 55014331) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
PubChem CID55014331
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCCO2)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)6-9-18-10-7-15(8-11-18)17-13-16-5-3-4-12-19-16/h6,15-17H,3-5,7-13H2,1-2H3
InChIKeyNLTBGXLZKSBGHW-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.58
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-(oxan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine (CID 55014331) is 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC2CCCCO2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine?
The InChIKey is NLTBGXLZKSBGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)6-9-18-10-7-15(8-11-18)17-13-16-5-3-4-12-19-16/h6,15-17H,3-5,7-13H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(oxan-2-ylmethyl)piperidin-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.58, 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-(oxan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 55014331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).