3,5-dimethyl-2-piperidin-1-ylaniline

C13H20N2 — CID 30029941

IUPAC3,5-dimethyl-2-piperidin-1-ylaniline
SMILESCc1cc(C)c(N2CCCCC2)c(N)c1
InChIInChI=1S/C13H20N2/c1-10-8-11(2)13(12(14)9-10)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3
InChIKeyBSNDVMKPBZQXMQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.88
Rot. Bonds1

About 3,5-dimethyl-2-piperidin-1-ylaniline

3,5-dimethyl-2-piperidin-1-ylaniline (PubChem CID 30029941) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name3,5-dimethyl-2-piperidin-1-ylaniline
PubChem CID30029941
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,5-dimethyl-2-piperidin-1-ylaniline
SMILESCc1cc(C)c(N2CCCCC2)c(N)c1
InChIInChI=1S/C13H20N2/c1-10-8-11(2)13(12(14)9-10)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3
InChIKeyBSNDVMKPBZQXMQ-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.88
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 3,5-dimethyl-2-piperidin-1-ylaniline?
The IUPAC name of 3,5-dimethyl-2-piperidin-1-ylaniline (CID 30029941) is 3,5-dimethyl-2-piperidin-1-ylaniline.
What is the SMILES notation for 3,5-dimethyl-2-piperidin-1-ylaniline?
The canonical SMILES for 3,5-dimethyl-2-piperidin-1-ylaniline is Cc1cc(C)c(N2CCCCC2)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-piperidin-1-ylaniline?
The InChIKey is BSNDVMKPBZQXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-8-11(2)13(12(14)9-10)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-piperidin-1-ylaniline?
3,5-dimethyl-2-piperidin-1-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-piperidin-1-ylaniline is sourced from PubChem (CID 30029941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).