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

C14H26N2O — CID 62064430

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-2-16-8-6-13(7-9-16)11-15-12-14-5-3-4-10-17-14/h4,10,13-15H,2-3,5-9,11-12H2,1H3
InChIKeyHRRFALSMJAQAAD-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.00
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine (PubChem CID 62064430) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine
PubChem CID62064430
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-2-16-8-6-13(7-9-16)11-15-12-14-5-3-4-10-17-14/h4,10,13-15H,2-3,5-9,11-12H2,1H3
InChIKeyHRRFALSMJAQAAD-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.00
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-ethylpiperidin-4-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine (CID 62064430) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine is CCN1CCC(CNCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine?
The InChIKey is HRRFALSMJAQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-16-8-6-13(7-9-16)11-15-12-14-5-3-4-10-17-14/h4,10,13-15H,2-3,5-9,11-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpiperidin-4-yl)methanamine has a molecular weight of 238.37 g/mol, XLogP of 2.00, 5 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-ethylpiperidin-4-yl)methanamine is sourced from PubChem (CID 62064430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).