N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline

C16H26N2 — CID 142431546

IUPACN-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline
SMILESCCNc1cc(CCC2CCNCC2)ccc1C
InChIInChI=1S/C16H26N2/c1-3-18-16-12-15(5-4-13(16)2)7-6-14-8-10-17-11-9-14/h4-5,12,14,17-18H,3,6-11H2,1-2H3
InChIKeyLPDDQOWPNXVYPX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline

N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline (PubChem CID 142431546) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline
PubChem CID142431546
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline
SMILESCCNc1cc(CCC2CCNCC2)ccc1C
InChIInChI=1S/C16H26N2/c1-3-18-16-12-15(5-4-13(16)2)7-6-14-8-10-17-11-9-14/h4-5,12,14,17-18H,3,6-11H2,1-2H3
InChIKeyLPDDQOWPNXVYPX-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline?
The IUPAC name of N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline (CID 142431546) is N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline.
What is the SMILES notation for N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline?
The canonical SMILES for N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline is CCNc1cc(CCC2CCNCC2)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline?
The InChIKey is LPDDQOWPNXVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18-16-12-15(5-4-13(16)2)7-6-14-8-10-17-11-9-14/h4-5,12,14,17-18H,3,6-11H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline?
N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 142431546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).