2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine

C25H36N2O — CID 25348

IUPAC2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(CC(CNCCN3CCCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C25H36N2O/c1-4-14-27(15-5-1)16-13-26-20-21(19-24-11-7-17-28-24)18-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,21,24,26H,1,4-5,7,11,13-20H2
InChIKeyCINYMARLUJFMDT-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.64
Rot. Bonds9

About 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine

2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine (PubChem CID 25348) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
PubChem CID25348
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(CC(CNCCN3CCCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C25H36N2O/c1-4-14-27(15-5-1)16-13-26-20-21(19-24-11-7-17-28-24)18-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,21,24,26H,1,4-5,7,11,13-20H2
InChIKeyCINYMARLUJFMDT-UHFFFAOYSA-N
XLogP4.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.64
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 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine (CID 25348) is 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine is c1ccc2c(CC(CNCCN3CCCCC3)CC3CCCO3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The InChIKey is CINYMARLUJFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-4-14-27(15-5-1)16-13-26-20-21(19-24-11-7-17-28-24)18-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,21,24,26H,1,4-5,7,11,13-20H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine has a molecular weight of 380.58 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 25348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).