2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one

C18H25NO — CID 116611097

IUPAC2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)C1CC1c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H25NO/c1-18(2,14-9-6-10-19-12-14)17(20)16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3
InChIKeyPAJFAZANOVSQPQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one

2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one (PubChem CID 116611097) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one
PubChem CID116611097
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)C1CC1c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H25NO/c1-18(2,14-9-6-10-19-12-14)17(20)16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3
InChIKeyPAJFAZANOVSQPQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N-ethyl-2-methyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83198421
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-2-piperidin-3-ylpropanamide
CID 107842717
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one (CID 116611097) is 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)C1CC1c1ccccc1)C1CCCNC1.
What is the InChIKey of 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one?
The InChIKey is PAJFAZANOVSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,14-9-6-10-19-12-14)17(20)16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,6,9-12H2,1-2H3.
What are the key properties of 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one?
2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116611097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).