2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline

C16H26N2 — CID 129394305

IUPAC2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline
SMILESCC[C@H]1CC[C@H](CCc2ccccc2N)N(C)C1
InChIInChI=1S/C16H26N2/c1-3-13-8-10-15(18(2)12-13)11-9-14-6-4-5-7-16(14)17/h4-7,13,15H,3,8-12,17H2,1-2H3/t13-,15+/m0/s1
InChIKeyJCFCPSUZCSXLGY-DZGCQCFKSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline

2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline (PubChem CID 129394305) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline
PubChem CID129394305
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline
SMILESCC[C@H]1CC[C@H](CCc2ccccc2N)N(C)C1
InChIInChI=1S/C16H26N2/c1-3-13-8-10-15(18(2)12-13)11-9-14-6-4-5-7-16(14)17/h4-7,13,15H,3,8-12,17H2,1-2H3/t13-,15+/m0/s1
InChIKeyJCFCPSUZCSXLGY-DZGCQCFKSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-(5-ethyl-1-methylpiperidin-2-yl)ethyl]aniline
CID 20559962
6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide
CID 20560064
2-(5-ethyl-1-methylpiperidin-2-yl)ethanol
CID 130123584
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
CID 20560089
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
CID 83227586
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
CID 107274350
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
2-(cyclopropylmethyl)aniline
CID 55285261
4-[5-ethyl-2-(2-naphthalen-1-ylethyl)piperidin-1-yl]pyridine
CID 70410875

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline?
The IUPAC name of 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline (CID 129394305) is 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline is CC[C@H]1CC[C@H](CCc2ccccc2N)N(C)C1.
What is the InChIKey of 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline?
The InChIKey is JCFCPSUZCSXLGY-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13-8-10-15(18(2)12-13)11-9-14-6-4-5-7-16(14)17/h4-7,13,15H,3,8-12,17H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline?
2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline is sourced from PubChem (CID 129394305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).