cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

C16H21NO2 — CID 51003388

IUPACcyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO2/c1-19-15-4-2-3-14(11-15)12-7-9-17(10-8-12)16(18)13-5-6-13/h2-4,11-13H,5-10H2,1H3
InChIKeyWHNBFHNVGXNLCB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds3

About cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 51003388) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID51003388
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO2/c1-19-15-4-2-3-14(11-15)12-7-9-17(10-8-12)16(18)13-5-6-13/h2-4,11-13H,5-10H2,1H3
InChIKeyWHNBFHNVGXNLCB-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 51003388) is cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is WHNBFHNVGXNLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-4-2-3-14(11-15)12-7-9-17(10-8-12)16(18)13-5-6-13/h2-4,11-13H,5-10H2,1H3.
What are the key properties of cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 51003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).