cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone

C11H19NO — CID 58714719

IUPACcyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C
InChIInChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBXEWWRQCMXSTIO-BDAKNGLRSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds1

About cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone (PubChem CID 58714719) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone
PubChem CID58714719
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C
InChIInChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyBXEWWRQCMXSTIO-BDAKNGLRSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone (CID 58714719) is cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C.
What is the InChIKey of cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone?
The InChIKey is BXEWWRQCMXSTIO-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone has a molecular weight of 181.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3,4-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 58714719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).