(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone

C13H17ClN2O2 — CID 43372653

IUPAC(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-18-10-4-6-16(7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7,15H2,1H3
InChIKeyFDAKDFMGFIQWNA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.17
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone

(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 43372653) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID43372653
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-18-10-4-6-16(7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7,15H2,1H3
InChIKeyFDAKDFMGFIQWNA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616295
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 170991950
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone (CID 43372653) is (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is FDAKDFMGFIQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-10-4-6-16(7-5-10)13(17)11-3-2-9(15)8-12(11)14/h2-3,8,10H,4-7,15H2,1H3.
What are the key properties of (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone?
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 43372653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).