1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine

C16H27N3 — CID 79327765

IUPAC1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine
SMILESCCN(CCN1CCC(N)CC1)c1ccc(C)cc1
InChIInChI=1S/C16H27N3/c1-3-19(16-6-4-14(2)5-7-16)13-12-18-10-8-15(17)9-11-18/h4-7,15H,3,8-13,17H2,1-2H3
InChIKeyPAAXUGVOAHYNJY-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine

1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine (PubChem CID 79327765) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine
PubChem CID79327765
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine
SMILESCCN(CCN1CCC(N)CC1)c1ccc(C)cc1
InChIInChI=1S/C16H27N3/c1-3-19(16-6-4-14(2)5-7-16)13-12-18-10-8-15(17)9-11-18/h4-7,15H,3,8-13,17H2,1-2H3
InChIKeyPAAXUGVOAHYNJY-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 102550610
1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
CID 142172122
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
CID 62480475
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 61494177
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118938556
N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane
CID 143528661
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]piperidin-4-amine
CID 79328291
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine (CID 79327765) is 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine is CCN(CCN1CCC(N)CC1)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine?
The InChIKey is PAAXUGVOAHYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19(16-6-4-14(2)5-7-16)13-12-18-10-8-15(17)9-11-18/h4-7,15H,3,8-13,17H2,1-2H3.
What are the key properties of 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine?
1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine is sourced from PubChem (CID 79327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).