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

C12H22N2O — CID 62065967

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C12H22N2O/c1-14-7-5-11(6-8-14)13-10-12-4-2-3-9-15-12/h3,9,11-13H,2,4-8,10H2,1H3
InChIKeyRKPSLVPDUPBEKF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.36
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine (PubChem CID 62065967) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine
PubChem CID62065967
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C12H22N2O/c1-14-7-5-11(6-8-14)13-10-12-4-2-3-9-15-12/h3,9,11-13H,2,4-8,10H2,1H3
InChIKeyRKPSLVPDUPBEKF-UHFFFAOYSA-N
XLogP1.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.36
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-methylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine (CID 62065967) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine is CN1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine?
The InChIKey is RKPSLVPDUPBEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-7-5-11(6-8-14)13-10-12-4-2-3-9-15-12/h3,9,11-13H,2,4-8,10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylpiperidin-4-amine has a molecular weight of 210.32 g/mol, XLogP of 1.36, 3 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-methylpiperidin-4-amine is sourced from PubChem (CID 62065967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).