4-(4-methylpiperidin-1-yl)aniline

C12H18N2 — CID 605442

IUPAC4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3
InChIKeyUZQJQJNKYMSTCP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.51
Rot. Bonds1

About 4-(4-methylpiperidin-1-yl)aniline

4-(4-methylpiperidin-1-yl)aniline (PubChem CID 605442) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)aniline
PubChem CID605442
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3
InChIKeyUZQJQJNKYMSTCP-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 4-(4-methylpiperidin-1-yl)aniline (CID 605442) is 4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is UZQJQJNKYMSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)aniline?
4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 605442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).