[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone

C15H22N2O2 — CID 82044979

IUPAC[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2CCON)cc1
InChIInChI=1S/C15H22N2O2/c1-12-5-7-13(8-6-12)15(18)17-10-3-2-4-14(17)9-11-19-16/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyOOIYZYWEIMDQOU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.27
Rot. Bonds4

About [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone

[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 82044979) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID82044979
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2CCON)cc1
InChIInChI=1S/C15H22N2O2/c1-12-5-7-13(8-6-12)15(18)17-10-3-2-4-14(17)9-11-19-16/h5-8,14H,2-4,9-11,16H2,1H3
InChIKeyOOIYZYWEIMDQOU-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(buta-1,3-dien-2-yloxymethyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 123841527
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 82044979) is [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCCC2CCON)cc1.
What is the InChIKey of [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is OOIYZYWEIMDQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-7-13(8-6-12)15(18)17-10-3-2-4-14(17)9-11-19-16/h5-8,14H,2-4,9-11,16H2,1H3.
What are the key properties of [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 82044979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).