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

C24H34N2O — CID 25166

IUPAC2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(C(CNCCN3CCCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O/c1-4-14-26(15-5-1)16-13-25-19-21(18-22-10-7-17-27-22)24-12-6-9-20-8-2-3-11-23(20)24/h2-3,6,8-9,11-12,21-22,25H,1,4-5,7,10,13-19H2
InChIKeyXJHOPZDYNFETGC-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.57
Rot. Bonds8

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

2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine (PubChem CID 25166) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
PubChem CID25166
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(C(CNCCN3CCCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O/c1-4-14-26(15-5-1)16-13-25-19-21(18-22-10-7-17-27-22)24-12-6-9-20-8-2-3-11-23(20)24/h2-3,6,8-9,11-12,21-22,25H,1,4-5,7,10,13-19H2
InChIKeyXJHOPZDYNFETGC-UHFFFAOYSA-N
XLogP4.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.57
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-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine (CID 25166) is 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine is c1ccc2c(C(CNCCN3CCCCC3)CC3CCCO3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
The InChIKey is XJHOPZDYNFETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-4-14-26(15-5-1)16-13-25-19-21(18-22-10-7-17-27-22)24-12-6-9-20-8-2-3-11-23(20)24/h2-3,6,8-9,11-12,21-22,25H,1,4-5,7,10,13-19H2.
What are the key properties of 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine?
2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine has a molecular weight of 366.55 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 25166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).