4-[(4-methylpiperidin-1-yl)methyl]aniline

C13H20N2 — CID 1084995

IUPAC4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3
InChIKeyUJZKENORBCZXBM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.50
Rot. Bonds2

About 4-[(4-methylpiperidin-1-yl)methyl]aniline

4-[(4-methylpiperidin-1-yl)methyl]aniline (PubChem CID 1084995) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]aniline
PubChem CID1084995
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3
InChIKeyUJZKENORBCZXBM-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)methyl]aniline?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]aniline (CID 1084995) is 4-[(4-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]aniline is CC1CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is UJZKENORBCZXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]aniline?
4-[(4-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.50, 2 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)methyl]aniline is sourced from PubChem (CID 1084995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).