[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone

C16H26N4O — CID 104968888

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(NN)n1
InChIInChI=1S/C16H26N4O/c1-10(2)14-8-13(9-15(18-14)19-17)16(21)20-11(3)6-5-7-12(20)4/h8-12H,5-7,17H2,1-4H3,(H,18,19)/t11-,12+
InChIKeyRHTNCKJHDFCWHV-TXEJJXNPSA-N
MW290.41 g/mol
LogP2.89
Rot. Bonds3

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone (PubChem CID 104968888) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone
PubChem CID104968888
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone
SMILESCC(C)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(NN)n1
InChIInChI=1S/C16H26N4O/c1-10(2)14-8-13(9-15(18-14)19-17)16(21)20-11(3)6-5-7-12(20)4/h8-12H,5-7,17H2,1-4H3,(H,18,19)/t11-,12+
InChIKeyRHTNCKJHDFCWHV-TXEJJXNPSA-N
XLogP2.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone (CID 104968888) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone is CC(C)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(NN)n1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is RHTNCKJHDFCWHV-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)14-8-13(9-15(18-14)19-17)16(21)20-11(3)6-5-7-12(20)4/h8-12H,5-7,17H2,1-4H3,(H,18,19)/t11-,12+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-hydrazinyl-6-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 104968888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).