1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one

C16H24N2O — CID 3046835

IUPAC1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-10-16(19)18-12-6-5-9-15(18)14-8-7-11-17-13-14/h7-8,11,13,15H,2-6,9-10,12H2,1H3/t15-/m0/s1
InChIKeyYGDMAPCANJXNPK-HNNXBMFYSA-N
MW260.38 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one

1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one (PubChem CID 3046835) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one
PubChem CID3046835
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C16H24N2O/c1-2-3-4-10-16(19)18-12-6-5-9-15(18)14-8-7-11-17-13-14/h7-8,11,13,15H,2-6,9-10,12H2,1H3/t15-/m0/s1
InChIKeyYGDMAPCANJXNPK-HNNXBMFYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one (CID 3046835) is 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one?
The InChIKey is YGDMAPCANJXNPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-10-16(19)18-12-6-5-9-15(18)14-8-7-11-17-13-14/h7-8,11,13,15H,2-6,9-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one?
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one is sourced from PubChem (CID 3046835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).