(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone

C13H17ClN2O2 — CID 110465007

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-8-11(15)10(14)7-9(12)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3
InChIKeyZTEJZIWTWZNUSD-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.56
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone

(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 110465007) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
PubChem CID110465007
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O2/c1-18-12-8-11(15)10(14)7-9(12)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3
InChIKeyZTEJZIWTWZNUSD-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
CID 119784783
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734706
[2-(azepan-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 4828916
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(2-oxo-2-pyrrolidin-1-ylethyl) 4-amino-5-chloro-2-methoxybenzoate
CID 2371999
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 18091015
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838920

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone (CID 110465007) is (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone is COc1cc(N)c(Cl)cc1C(=O)N1CCCCC1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is ZTEJZIWTWZNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-12-8-11(15)10(14)7-9(12)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 268.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).