4-(4-aminophenyl)-N-ethylpiperidin-2-amine

C13H21N3 — CID 174700540

IUPAC4-(4-aminophenyl)-N-ethylpiperidin-2-amine
SMILESCCNC1CC(c2ccc(N)cc2)CCN1
InChIInChI=1S/C13H21N3/c1-2-15-13-9-11(7-8-16-13)10-3-5-12(14)6-4-10/h3-6,11,13,15-16H,2,7-9,14H2,1H3
InChIKeyFOXXYGOEWVZZHC-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.67
Rot. Bonds3

About 4-(4-aminophenyl)-N-ethylpiperidin-2-amine

4-(4-aminophenyl)-N-ethylpiperidin-2-amine (PubChem CID 174700540) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-ethylpiperidin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-ethylpiperidin-2-amine
PubChem CID174700540
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(4-aminophenyl)-N-ethylpiperidin-2-amine
SMILESCCNC1CC(c2ccc(N)cc2)CCN1
InChIInChI=1S/C13H21N3/c1-2-15-13-9-11(7-8-16-13)10-3-5-12(14)6-4-10/h3-6,11,13,15-16H,2,7-9,14H2,1H3
InChIKeyFOXXYGOEWVZZHC-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethylazetidin-2-amine
CID 90753898
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
2-pentan-3-yl-4-phenylpiperidine
CID 77231300
ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 165141938
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
4-[(3S,5R)-3,5-dimethylcyclohexyl]aniline
CID 125449153
4-[3-(dimethylamino)cyclohexyl]aniline
CID 142146048
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
CID 70181620
3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
CID 114520158
4-(4-pyrrolidin-3-ylphenoxy)aniline
CID 116996705
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-ethylpiperidin-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-ethylpiperidin-2-amine (CID 174700540) is 4-(4-aminophenyl)-N-ethylpiperidin-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-ethylpiperidin-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-ethylpiperidin-2-amine is CCNC1CC(c2ccc(N)cc2)CCN1.
What is the InChIKey of 4-(4-aminophenyl)-N-ethylpiperidin-2-amine?
The InChIKey is FOXXYGOEWVZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-15-13-9-11(7-8-16-13)10-3-5-12(14)6-4-10/h3-6,11,13,15-16H,2,7-9,14H2,1H3.
What are the key properties of 4-(4-aminophenyl)-N-ethylpiperidin-2-amine?
4-(4-aminophenyl)-N-ethylpiperidin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-ethylpiperidin-2-amine is sourced from PubChem (CID 174700540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).