(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

C18H25NO2 — CID 53316946

IUPAC(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CC3(C)C)CC2)c1
InChIInChI=1S/C18H25NO2/c1-18(2)12-16(18)17(20)19-9-7-13(8-10-19)14-5-4-6-15(11-14)21-3/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyWKWIGQJWWPSRKL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.45
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 53316946) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID53316946
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CC3(C)C)CC2)c1
InChIInChI=1S/C18H25NO2/c1-18(2)12-16(18)17(20)19-9-7-13(8-10-19)14-5-4-6-15(11-14)21-3/h4-6,11,13,16H,7-10,12H2,1-3H3
InChIKeyWKWIGQJWWPSRKL-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 53316946) is (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2CCN(C(=O)C3CC3(C)C)CC2)c1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is WKWIGQJWWPSRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2)12-16(18)17(20)19-9-7-13(8-10-19)14-5-4-6-15(11-14)21-3/h4-6,11,13,16H,7-10,12H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
(2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53316946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).