1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine

C12H24N2O — CID 61038851

IUPAC1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(NCCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O/c1-14-8-5-11(6-9-14)13-7-4-12-3-2-10-15-12/h11-13H,2-10H2,1H3
InChIKeyKSMXJGHMWLVYNU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine

1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine (PubChem CID 61038851) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
PubChem CID61038851
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(NCCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O/c1-14-8-5-11(6-9-14)13-7-4-12-3-2-10-15-12/h11-13H,2-10H2,1H3
InChIKeyKSMXJGHMWLVYNU-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine (CID 61038851) is 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine is CN1CCC(NCCC2CCCO2)CC1.
What is the InChIKey of 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
The InChIKey is KSMXJGHMWLVYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14-8-5-11(6-9-14)13-7-4-12-3-2-10-15-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine?
1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 61038851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).