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

C15H28N2O — CID 43765468

IUPAC1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h5,14-16H,3-4,6-12H2,1-2H3
InChIKeyKOKYLMHKABOYRT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.19
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 43765468) 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-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID43765468
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h5,14-16H,3-4,6-12H2,1-2H3
InChIKeyKOKYLMHKABOYRT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 2846723
N-methyl-N-(tetrahydrofuran-2-ylmethyl)piperidin-4-amine
CID 25219599
(1-Methyl-piperidin-4-YL)-(tetrahydro-furan-2-YL-methyl)-amine
CID 3152203
1-ethyl-N-[(oxolan-2-yl)methyl]piperidin-4-amine
CID 24158205
N-[(oxolan-2-yl)methyl]-1-(propan-2-yl)piperidin-4-amine
CID 43179162
1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 103775787
1-(2,2-dimethylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 170670612
N-[[(2R)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742862
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
[(2R)-oxolan-2-yl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium
CID 6935368
[(2S)-oxolan-2-yl]methyl-(1-propylpiperidin-1-ium-4-yl)azanium
CID 6935369
(1-methylpiperidin-1-ium-4-yl)-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7047314

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 43765468) is 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is KOKYLMHKABOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h5,14-16H,3-4,6-12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.19, 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-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43765468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).