N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine

C13H24N2O — CID 115741825

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine
SMILESC1=C(CNCCN2CCCCC2)COCC1
InChIInChI=1S/C13H24N2O/c1-2-7-15(8-3-1)9-6-14-11-13-5-4-10-16-12-13/h5,14H,1-4,6-12H2
InChIKeyWBEUJQHOJZYBHZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds5

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine (PubChem CID 115741825) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine
PubChem CID115741825
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine
SMILESC1=C(CNCCN2CCCCC2)COCC1
InChIInChI=1S/C13H24N2O/c1-2-7-15(8-3-1)9-6-14-11-13-5-4-10-16-12-13/h5,14H,1-4,6-12H2
InChIKeyWBEUJQHOJZYBHZ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-dihydro-2H-pyran-2-yl)piperazine
CID 90428556
ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
CID 165409660
1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine
CID 167165127
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727
(3R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885948
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-4-amine
CID 114410942
4-(methoxymethyl)-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 114411033
4-(methoxymethyl)-1-(piperidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
CID 114411054
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperazine
CID 114411059
(3E)-3-(2-ethoxyethylidene)piperidine
CID 115012070
4-(2-Ethoxyethylidene)piperidine
CID 115012071
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115674355

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine (CID 115741825) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine is C1=C(CNCCN2CCCCC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine?
The InChIKey is WBEUJQHOJZYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-7-15(8-3-1)9-6-14-11-13-5-4-10-16-12-13/h5,14H,1-4,6-12H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 115741825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).