4-(3-ethylpiperidin-1-yl)aniline

C13H20N2 — CID 43584200

IUPAC4-(3-ethylpiperidin-1-yl)aniline
SMILESCCC1CCCN(c2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2/c1-2-11-4-3-9-15(10-11)13-7-5-12(14)6-8-13/h5-8,11H,2-4,9-10,14H2,1H3
InChIKeyPQUQBYDLJFUGNU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.90
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)aniline

4-(3-ethylpiperidin-1-yl)aniline (PubChem CID 43584200) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)aniline
PubChem CID43584200
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(3-ethylpiperidin-1-yl)aniline
SMILESCCC1CCCN(c2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2/c1-2-11-4-3-9-15(10-11)13-7-5-12(14)6-8-13/h5-8,11H,2-4,9-10,14H2,1H3
InChIKeyPQUQBYDLJFUGNU-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
CID 60876528
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363
4-(3-methylazepan-1-yl)aniline
CID 23103826
4-[1-(4-aminophenyl)piperidin-3-yl]aniline
CID 151992764
2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine
CID 164926942
4-(3-ethylpiperidin-1-yl)-2-methylbenzoic acid
CID 62135276
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]aniline
CID 97044380
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
ethane;1-phenyl-3-propylpiperidine
CID 123157098

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)aniline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)aniline (CID 43584200) is 4-(3-ethylpiperidin-1-yl)aniline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)aniline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)aniline is CCC1CCCN(c2ccc(N)cc2)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)aniline?
The InChIKey is PQUQBYDLJFUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-11-4-3-9-15(10-11)13-7-5-12(14)6-8-13/h5-8,11H,2-4,9-10,14H2,1H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)aniline?
4-(3-ethylpiperidin-1-yl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)aniline is sourced from PubChem (CID 43584200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).