cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone

C17H21NO — CID 176576901

IUPACcyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
SMILESC=Cc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H21NO/c1-2-13-3-5-14(6-4-13)15-9-11-18(12-10-15)17(19)16-7-8-16/h2-6,15-16H,1,7-12H2
InChIKeyHLFLWDMJDAZODJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.45
Rot. Bonds3

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

cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone (PubChem CID 176576901) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
PubChem CID176576901
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Namecyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
SMILESC=Cc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H21NO/c1-2-13-3-5-14(6-4-13)15-9-11-18(12-10-15)17(19)16-7-8-16/h2-6,15-16H,1,7-12H2
InChIKeyHLFLWDMJDAZODJ-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 68588763
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
1-cyclohexyl-4-ethenylbenzene
CID 21225537
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 169094718
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzaldehyde
CID 22077176
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 24809861

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone (CID 176576901) is cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone is C=Cc1ccc(C2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone?
The InChIKey is HLFLWDMJDAZODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-13-3-5-14(6-4-13)15-9-11-18(12-10-15)17(19)16-7-8-16/h2-6,15-16H,1,7-12H2.
What are the key properties of cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 176576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).