1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine

C15H25N3 — CID 19804348

IUPAC1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-3-17(4-2)15-9-11-18(12-10-15)14-7-5-13(16)6-8-14/h5-8,15H,3-4,9-12,16H2,1-2H3
InChIKeyKALMRRRCVOFIDS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine

1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine (PubChem CID 19804348) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
PubChem CID19804348
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-3-17(4-2)15-9-11-18(12-10-15)14-7-5-13(16)6-8-14/h5-8,15H,3-4,9-12,16H2,1-2H3
InChIKeyKALMRRRCVOFIDS-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
CID 106820709
N-[(3R)-1-(4-aminophenyl)pyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 67147715
1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
CID 112647755
4-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]aniline
CID 129499176
4-(4-methylsulfonylpiperidin-1-yl)aniline
CID 152771530
4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
CID 167041268
N-[1-(4-aminophenyl)piperidin-4-yl]-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 176615753

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine (CID 19804348) is 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine?
The InChIKey is KALMRRRCVOFIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-17(4-2)15-9-11-18(12-10-15)14-7-5-13(16)6-8-14/h5-8,15H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine?
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 19804348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).