2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline

C14H21ClN2O — CID 102955583

IUPAC2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
SMILESCOC1CN(c2cc(Cl)c(N)cc2C)CCC1C
InChIInChI=1S/C14H21ClN2O/c1-9-4-5-17(8-14(9)18-3)13-7-11(15)12(16)6-10(13)2/h6-7,9,14H,4-5,8,16H2,1-3H3
InChIKeyWPZAQIZWNZLLHN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.09
Rot. Bonds2

About 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline

2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline (PubChem CID 102955583) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
PubChem CID102955583
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
SMILESCOC1CN(c2cc(Cl)c(N)cc2C)CCC1C
InChIInChI=1S/C14H21ClN2O/c1-9-4-5-17(8-14(9)18-3)13-7-11(15)12(16)6-10(13)2/h6-7,9,14H,4-5,8,16H2,1-3H3
InChIKeyWPZAQIZWNZLLHN-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.09
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-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
CID 114677683
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
4-(4-tert-butylpiperidin-1-yl)-2-chloro-5-methylaniline
CID 115554840
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 102965809
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 102959181
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138
methyl 3-amino-4-(3-methoxy-4-methylpiperidin-1-yl)benzoate
CID 102964150
[1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 21105355
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline?
The IUPAC name of 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline (CID 102955583) is 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline is COC1CN(c2cc(Cl)c(N)cc2C)CCC1C.
What is the InChIKey of 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline?
The InChIKey is WPZAQIZWNZLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-4-5-17(8-14(9)18-3)13-7-11(15)12(16)6-10(13)2/h6-7,9,14H,4-5,8,16H2,1-3H3.
What are the key properties of 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline?
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline has a molecular weight of 268.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline is sourced from PubChem (CID 102955583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).