3-chloro-5-methyl-2-piperidin-1-ylaniline

C12H17ClN2 — CID 45371565

IUPAC3-chloro-5-methyl-2-piperidin-1-ylaniline
SMILESCc1cc(N)c(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-15/h7-8H,2-6,14H2,1H3
InChIKeyGIDRCRLKXOIKQQ-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.22
Rot. Bonds1

About 3-chloro-5-methyl-2-piperidin-1-ylaniline

3-chloro-5-methyl-2-piperidin-1-ylaniline (PubChem CID 45371565) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-chloro-5-methyl-2-piperidin-1-ylaniline
PubChem CID45371565
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-chloro-5-methyl-2-piperidin-1-ylaniline
SMILESCc1cc(N)c(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-15/h7-8H,2-6,14H2,1H3
InChIKeyGIDRCRLKXOIKQQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-piperidin-1-ylaniline?
The IUPAC name of 3-chloro-5-methyl-2-piperidin-1-ylaniline (CID 45371565) is 3-chloro-5-methyl-2-piperidin-1-ylaniline.
What is the SMILES notation for 3-chloro-5-methyl-2-piperidin-1-ylaniline?
The canonical SMILES for 3-chloro-5-methyl-2-piperidin-1-ylaniline is Cc1cc(N)c(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-2-piperidin-1-ylaniline?
The InChIKey is GIDRCRLKXOIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-15/h7-8H,2-6,14H2,1H3.
What are the key properties of 3-chloro-5-methyl-2-piperidin-1-ylaniline?
3-chloro-5-methyl-2-piperidin-1-ylaniline has a molecular weight of 224.73 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-piperidin-1-ylaniline is sourced from PubChem (CID 45371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).