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

C14H26N2O — CID 55030783

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-2-8-16-9-6-13(7-10-16)15-12-14-5-3-4-11-17-14/h4,11,13-15H,2-3,5-10,12H2,1H3
InChIKeyLIWSWRMBLPIMIU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine (PubChem CID 55030783) 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-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
PubChem CID55030783
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H26N2O/c1-2-8-16-9-6-13(7-10-16)15-12-14-5-3-4-11-17-14/h4,11,13-15H,2-3,5-10,12H2,1H3
InChIKeyLIWSWRMBLPIMIU-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-propylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine (CID 55030783) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine?
The InChIKey is LIWSWRMBLPIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-8-16-9-6-13(7-10-16)15-12-14-5-3-4-11-17-14/h4,11,13-15H,2-3,5-10,12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 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-propylpiperidin-4-amine is sourced from PubChem (CID 55030783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).