1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

C18H25NO — CID 58138677

IUPAC1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCN1CCC(Cc2cccc(CC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H25NO/c1-19-9-7-14(8-10-19)11-15-3-2-4-16(12-15)13-18(20)17-5-6-17/h2-4,12,14,17H,5-11,13H2,1H3
InChIKeyUAERZXWFVVBGQE-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.09
Rot. Bonds5

About 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (PubChem CID 58138677) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
PubChem CID58138677
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCN1CCC(Cc2cccc(CC(=O)C3CC3)c2)CC1
InChIInChI=1S/C18H25NO/c1-19-9-7-14(8-10-19)11-15-3-2-4-16(12-15)13-18(20)17-5-6-17/h2-4,12,14,17H,5-11,13H2,1H3
InChIKeyUAERZXWFVVBGQE-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;dihydrochloride
CID 158177001
1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
CID 160688271
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-[3-[(1-methylpyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105471558
4-benzyl-1-methylpiperidine;ethane
CID 142009767
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
CID 163896272
2-(3-aminophenyl)-1-(4-methylcyclohexyl)ethanone
CID 116577277
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
4-benzyl-1-methylazepane
CID 123177845
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (CID 58138677) is 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is CN1CCC(Cc2cccc(CC(=O)C3CC3)c2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The InChIKey is UAERZXWFVVBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-19-9-7-14(8-10-19)11-15-3-2-4-16(12-15)13-18(20)17-5-6-17/h2-4,12,14,17H,5-11,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone has a molecular weight of 271.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 58138677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).