(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C14H19ClN2O2 — CID 106585594

IUPAC(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C14H19ClN2O2/c1-19-9-10-4-3-7-17(8-10)14(18)11-5-2-6-12(15)13(11)16/h2,5-6,10H,3-4,7-9,16H2,1H3
InChIKeyQMRPKWBMYYTNJQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.42
Rot. Bonds3

About (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106585594) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106585594
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C14H19ClN2O2/c1-19-9-10-4-3-7-17(8-10)14(18)11-5-2-6-12(15)13(11)16/h2,5-6,10H,3-4,7-9,16H2,1H3
InChIKeyQMRPKWBMYYTNJQ-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.42
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

(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
1-(2-amino-3-chlorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194097
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207
(2-amino-3-chlorophenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210913
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106585594) is (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is QMRPKWBMYYTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-9-10-4-3-7-17(8-10)14(18)11-5-2-6-12(15)13(11)16/h2,5-6,10H,3-4,7-9,16H2,1H3.
What are the key properties of (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106585594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).