N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine

C13H24N2O — CID 62064432

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine
SMILESCN1CCCCC1CNCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-15-8-4-2-6-12(15)10-14-11-13-7-3-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3
InChIKeyRNOSLVJGLYHSMS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.75
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 62064432) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID62064432
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine
SMILESCN1CCCCC1CNCC1CCC=CO1
InChIInChI=1S/C13H24N2O/c1-15-8-4-2-6-12(15)10-14-11-13-7-3-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3
InChIKeyRNOSLVJGLYHSMS-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine (CID 62064432) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine is CN1CCCCC1CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is RNOSLVJGLYHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15-8-4-2-6-12(15)10-14-11-13-7-3-5-9-16-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 62064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).