2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C15H30N2O — CID 55087995

IUPAC2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCCN(C(C)CNCC2CCCO2)C1C
InChIInChI=1S/C15H30N2O/c1-12-6-4-8-17(14(12)3)13(2)10-16-11-15-7-5-9-18-15/h12-16H,4-11H2,1-3H3
InChIKeyLMEPHSOECIHVBR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds5

About 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 55087995) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID55087995
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCCN(C(C)CNCC2CCCO2)C1C
InChIInChI=1S/C15H30N2O/c1-12-6-4-8-17(14(12)3)13(2)10-16-11-15-7-5-9-18-15/h12-16H,4-11H2,1-3H3
InChIKeyLMEPHSOECIHVBR-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 55087995) is 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC1CCCN(C(C)CNCC2CCCO2)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is LMEPHSOECIHVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-6-4-8-17(14(12)3)13(2)10-16-11-15-7-5-9-18-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55087995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).