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

C14H26N2O — CID 62064706

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
SMILESC1=COC(CNCCCN2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-9-16(10-4-1)11-6-8-15-13-14-7-2-5-12-17-14/h5,12,14-15H,1-4,6-11,13H2
InChIKeyNPUDJERZKHUVCW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds6

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine (PubChem CID 62064706) 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)-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
PubChem CID62064706
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
SMILESC1=COC(CNCCCN2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-9-16(10-4-1)11-6-8-15-13-14-7-2-5-12-17-14/h5,12,14-15H,1-4,6-11,13H2
InChIKeyNPUDJERZKHUVCW-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine (CID 62064706) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine is C1=COC(CNCCCN2CCCCC2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
The InChIKey is NPUDJERZKHUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-9-16(10-4-1)11-6-8-15-13-14-7-2-5-12-17-14/h5,12,14-15H,1-4,6-11,13H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 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-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 62064706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).