(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone

C10H15Cl2NO2 — CID 110883903

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)CC2)CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO2/c1-9(6-10(9,11)12)8(15)13-4-2-7(14)3-5-13/h7,14H,2-6H2,1H3
InChIKeyZCYXDONINMVFBG-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.55
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 110883903) has the molecular formula C10H15Cl2NO2 and a molecular weight of 252.14 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID110883903
Molecular FormulaC10H15Cl2NO2
Molecular Weight252.14 g/mol
Exact Mass251.05
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)CC2)CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO2/c1-9(6-10(9,11)12)8(15)13-4-2-7(14)3-5-13/h7,14H,2-6H2,1H3
InChIKeyZCYXDONINMVFBG-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone (CID 110883903) is (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone is CC1(C(=O)N2CCC(O)CC2)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is ZCYXDONINMVFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO2/c1-9(6-10(9,11)12)8(15)13-4-2-7(14)3-5-13/h7,14H,2-6H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 252.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110883903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).