2-[2-(1-butylpiperidin-2-yl)ethyl]aniline

C17H28N2 — CID 20560089

IUPAC2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
SMILESCCCCN1CCCCC1CCc1ccccc1N
InChIInChI=1S/C17H28N2/c1-2-3-13-19-14-7-6-9-16(19)12-11-15-8-4-5-10-17(15)18/h4-5,8,10,16H,2-3,6-7,9,11-14,18H2,1H3
InChIKeyOTGLSMBBQNTHNI-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.86
Rot. Bonds6

About 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline

2-[2-(1-butylpiperidin-2-yl)ethyl]aniline (PubChem CID 20560089) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
PubChem CID20560089
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
SMILESCCCCN1CCCCC1CCc1ccccc1N
InChIInChI=1S/C17H28N2/c1-2-3-13-19-14-7-6-9-16(19)12-11-15-8-4-5-10-17(15)18/h4-5,8,10,16H,2-3,6-7,9,11-14,18H2,1H3
InChIKeyOTGLSMBBQNTHNI-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.86
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

2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
1-pentyl-2-propylpiperidine
CID 54429991
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
(1-butylazepan-2-yl)methanamine
CID 116640391
2-butyl-1-hexylpiperidine
CID 171569565
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
CID 54171344
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide
CID 20560064
2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline
CID 129394305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline (CID 20560089) is 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline is CCCCN1CCCCC1CCc1ccccc1N.
What is the InChIKey of 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline?
The InChIKey is OTGLSMBBQNTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-13-19-14-7-6-9-16(19)12-11-15-8-4-5-10-17(15)18/h4-5,8,10,16H,2-3,6-7,9,11-14,18H2,1H3.
What are the key properties of 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline?
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline has a molecular weight of 260.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-butylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 20560089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).