N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline

C15H24N2 — CID 175496866

IUPACN-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCNc1ccc(CCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-16-15-7-5-13(6-8-15)3-4-14-9-11-17(2)12-10-14/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyAYFPKLILPKVOTM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline

N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 175496866) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID175496866
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCNc1ccc(CCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-16-15-7-5-13(6-8-15)3-4-14-9-11-17(2)12-10-14/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyAYFPKLILPKVOTM-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline (CID 175496866) is N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline is CNc1ccc(CCC2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is AYFPKLILPKVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-15-7-5-13(6-8-15)3-4-14-9-11-17(2)12-10-14/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline?
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 175496866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).