5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline

C16H25ClN2O2 — CID 79537185

IUPAC5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(OC)c(NC(C)CC2CCCCN2)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-11(8-12-6-4-5-7-18-12)19-14-9-13(17)15(20-2)10-16(14)21-3/h9-12,18-19H,4-8H2,1-3H3
InChIKeyANGZHSLCVXLUEU-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.69
Rot. Bonds6

About 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline

5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79537185) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79537185
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(OC)c(NC(C)CC2CCCCN2)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-11(8-12-6-4-5-7-18-12)19-14-9-13(17)15(20-2)10-16(14)21-3/h9-12,18-19H,4-8H2,1-3H3
InChIKeyANGZHSLCVXLUEU-UHFFFAOYSA-N
XLogP3.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 103411701
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 104667858
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79537185) is 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline is COc1cc(OC)c(NC(C)CC2CCCCN2)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is ANGZHSLCVXLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11(8-12-6-4-5-7-18-12)19-14-9-13(17)15(20-2)10-16(14)21-3/h9-12,18-19H,4-8H2,1-3H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline?
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 312.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79537185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).