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

C16H21NO — CID 53318241

IUPACcyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO/c1-12-3-2-4-15(11-12)13-7-9-17(10-8-13)16(18)14-5-6-14/h2-4,11,13-14H,5-10H2,1H3
InChIKeyCRGGWUOSKDKEMZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds2

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

cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone (PubChem CID 53318241) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
PubChem CID53318241
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namecyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C16H21NO/c1-12-3-2-4-15(11-12)13-7-9-17(10-8-13)16(18)14-5-6-14/h2-4,11,13-14H,5-10H2,1H3
InChIKeyCRGGWUOSKDKEMZ-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone (CID 53318241) is cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone is Cc1cccc(C2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is CRGGWUOSKDKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-3-2-4-15(11-12)13-7-9-17(10-8-13)16(18)14-5-6-14/h2-4,11,13-14H,5-10H2,1H3.
What are the key properties of cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 243.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53318241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).