2-(benzylamino)-1-piperidin-1-ylethanone

C14H20N2O — CID 11776124

IUPAC2-(benzylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(16-9-5-2-6-10-16)12-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2
InChIKeyNTFBDIVZKAKFBS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.79
Rot. Bonds4

About 2-(benzylamino)-1-piperidin-1-ylethanone

2-(benzylamino)-1-piperidin-1-ylethanone (PubChem CID 11776124) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(benzylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzylamino)-1-piperidin-1-ylethanone
PubChem CID11776124
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(benzylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNCc1ccccc1)N1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(16-9-5-2-6-10-16)12-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2
InChIKeyNTFBDIVZKAKFBS-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(benzylamino)-1-piperidin-1-ylethanone (CID 11776124) is 2-(benzylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(benzylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(benzylamino)-1-piperidin-1-ylethanone is O=C(CNCc1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(benzylamino)-1-piperidin-1-ylethanone?
The InChIKey is NTFBDIVZKAKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(16-9-5-2-6-10-16)12-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2.
What are the key properties of 2-(benzylamino)-1-piperidin-1-ylethanone?
2-(benzylamino)-1-piperidin-1-ylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 11776124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).