1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine

C14H28N2O — CID 103775787

IUPAC1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)11-16-7-5-13(6-8-16)15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyUJZQAPIUXRYGJR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine

1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 103775787) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID103775787
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)11-16-7-5-13(6-8-16)15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3
InChIKeyUJZQAPIUXRYGJR-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 103775787) is 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine is CC(C)CN1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is UJZQAPIUXRYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)11-16-7-5-13(6-8-16)15-10-14-4-3-9-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine?
1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 103775787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).