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

C15H28N2O — CID 62064194

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-14-6-10-17(11-7-14)9-4-8-16-13-15-5-2-3-12-18-15/h3,12,14-16H,2,4-11,13H2,1H3
InChIKeyLTGYHVZIQHGWRB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.39
Rot. Bonds6

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 62064194) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID62064194
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-14-6-10-17(11-7-14)9-4-8-16-13-15-5-2-3-12-18-15/h3,12,14-16H,2,4-11,13H2,1H3
InChIKeyLTGYHVZIQHGWRB-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 62064194) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(CCCNCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is LTGYHVZIQHGWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14-6-10-17(11-7-14)9-4-8-16-13-15-5-2-3-12-18-15/h3,12,14-16H,2,4-11,13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.39, 6 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)-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62064194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).