1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone

C19H22N2O — CID 110697117

IUPAC1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c22-19(14-18-7-4-10-20-15-18)21-11-8-17(9-12-21)13-16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2
InChIKeyDUDZDGUOGOREIO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone

1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 110697117) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID110697117
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c22-19(14-18-7-4-10-20-15-18)21-11-8-17(9-12-21)13-16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2
InChIKeyDUDZDGUOGOREIO-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone (CID 110697117) is 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is DUDZDGUOGOREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(14-18-7-4-10-20-15-18)21-11-8-17(9-12-21)13-16-5-2-1-3-6-16/h1-7,10,15,17H,8-9,11-14H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 294.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 110697117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).