(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone

C13H18N2O2 — CID 105494724

IUPAC(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2CCCNC2)c(N)c1
InChIInChI=1S/C13H18N2O2/c1-17-10-4-5-11(12(14)7-10)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8,14H2,1H3
InChIKeyZGZNIABGUUWXOB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.46
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone

(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone (PubChem CID 105494724) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
PubChem CID105494724
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2CCCNC2)c(N)c1
InChIInChI=1S/C13H18N2O2/c1-17-10-4-5-11(12(14)7-10)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8,14H2,1H3
InChIKeyZGZNIABGUUWXOB-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175124712
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
CID 82550498
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone (CID 105494724) is (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone is COc1ccc(C(=O)C2CCCNC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone?
The InChIKey is ZGZNIABGUUWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-10-4-5-11(12(14)7-10)13(16)9-3-2-6-15-8-9/h4-5,7,9,15H,2-3,6,8,14H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone?
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 105494724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).