4-(1-piperidin-4-ylethyl)aniline

C13H20N2 — CID 115023731

IUPAC4-(1-piperidin-4-ylethyl)aniline
SMILESCC(c1ccc(N)cc1)C1CCNCC1
InChIInChI=1S/C13H20N2/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyXKQINICONYNLGD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.37
Rot. Bonds2

About 4-(1-piperidin-4-ylethyl)aniline

4-(1-piperidin-4-ylethyl)aniline (PubChem CID 115023731) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(1-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(1-piperidin-4-ylethyl)aniline
PubChem CID115023731
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(1-piperidin-4-ylethyl)aniline
SMILESCC(c1ccc(N)cc1)C1CCNCC1
InChIInChI=1S/C13H20N2/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyXKQINICONYNLGD-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(oxan-4-yl)ethyl]aniline
CID 115024237
(4-aminophenyl)-(azepan-4-yl)methanol
CID 84686059
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128
4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
CID 84657149
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
1-(4-aminophenyl)-2-pyrrolidin-3-ylpropan-1-one
CID 140980834
2-(1-piperidin-4-ylethyl)phenol
CID 83908775
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone
CID 115038500
2-[4-(1-cyclopentylethyl)phenyl]ethanamine
CID 115030340
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-4-ylethyl)aniline?
The IUPAC name of 4-(1-piperidin-4-ylethyl)aniline (CID 115023731) is 4-(1-piperidin-4-ylethyl)aniline.
What is the SMILES notation for 4-(1-piperidin-4-ylethyl)aniline?
The canonical SMILES for 4-(1-piperidin-4-ylethyl)aniline is CC(c1ccc(N)cc1)C1CCNCC1.
What is the InChIKey of 4-(1-piperidin-4-ylethyl)aniline?
The InChIKey is XKQINICONYNLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11/h2-5,10,12,15H,6-9,14H2,1H3.
What are the key properties of 4-(1-piperidin-4-ylethyl)aniline?
4-(1-piperidin-4-ylethyl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 115023731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).