1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

C17H26N2O — CID 3156798

IUPAC1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCC3CCCO3)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-3,5-6,16-18H,4,7-14H2
InChIKeyLVNOGODKWOLGQG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.42
Rot. Bonds5

About 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 3156798) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID3156798
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCC3CCCO3)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-3,5-6,16-18H,4,7-14H2
InChIKeyLVNOGODKWOLGQG-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 3156798) is 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is LVNOGODKWOLGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-3,5-6,16-18H,4,7-14H2.
What are the key properties of 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 3156798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).