[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C17H24N2O — CID 63249167

IUPAC[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCNCC1CCCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-18-13-15-9-5-6-12-19(15)16(20)17(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3
InChIKeyCZRINRRSGLVXCO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds4

About [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 63249167) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID63249167
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCNCC1CCCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-18-13-15-9-5-6-12-19(15)16(20)17(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3
InChIKeyCZRINRRSGLVXCO-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 63249167) is [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is CNCC1CCCCN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is CZRINRRSGLVXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-13-15-9-5-6-12-19(15)16(20)17(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3.
What are the key properties of [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 63249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).