N-butyl-2-piperidin-1-ylaniline;toluene

C22H32N2 — CID 174677024

IUPACN-butyl-2-piperidin-1-ylaniline;toluene
SMILESCCCCNc1ccccc1N1CCCCC1.Cc1ccccc1
InChIInChI=1S/C15H24N2.C7H8/c1-2-3-11-16-14-9-5-6-10-15(14)17-12-7-4-8-13-17;1-7-5-3-2-4-6-7/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3;2-6H,1H3
InChIKeyWUFYEHXKYUMXEX-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.88
Rot. Bonds5

About N-butyl-2-piperidin-1-ylaniline;toluene

N-butyl-2-piperidin-1-ylaniline;toluene (PubChem CID 174677024) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-butyl-2-piperidin-1-ylaniline;toluene.

Molecular Properties

Compound NameN-butyl-2-piperidin-1-ylaniline;toluene
PubChem CID174677024
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-butyl-2-piperidin-1-ylaniline;toluene
SMILESCCCCNc1ccccc1N1CCCCC1.Cc1ccccc1
InChIInChI=1S/C15H24N2.C7H8/c1-2-3-11-16-14-9-5-6-10-15(14)17-12-7-4-8-13-17;1-7-5-3-2-4-6-7/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3;2-6H,1H3
InChIKeyWUFYEHXKYUMXEX-UHFFFAOYSA-N
XLogP5.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-enyl-2-piperidin-1-ylaniline
CID 21261771
N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
CID 28547630
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
CID 81413196
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
azane;1-(2-butylphenyl)piperidine
CID 70222464

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-piperidin-1-ylaniline;toluene?
The IUPAC name of N-butyl-2-piperidin-1-ylaniline;toluene (CID 174677024) is N-butyl-2-piperidin-1-ylaniline;toluene.
What is the SMILES notation for N-butyl-2-piperidin-1-ylaniline;toluene?
The canonical SMILES for N-butyl-2-piperidin-1-ylaniline;toluene is CCCCNc1ccccc1N1CCCCC1.Cc1ccccc1.
What is the InChIKey of N-butyl-2-piperidin-1-ylaniline;toluene?
The InChIKey is WUFYEHXKYUMXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C7H8/c1-2-3-11-16-14-9-5-6-10-15(14)17-12-7-4-8-13-17;1-7-5-3-2-4-6-7/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3;2-6H,1H3.
What are the key properties of N-butyl-2-piperidin-1-ylaniline;toluene?
N-butyl-2-piperidin-1-ylaniline;toluene has a molecular weight of 324.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-piperidin-1-ylaniline;toluene is sourced from PubChem (CID 174677024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).