N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine

C17H29N3 — CID 63179252

IUPACN',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-3-19(4-2)15-12-18-16-8-10-17(11-9-16)20-13-6-5-7-14-20/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyQEMOQSOIFHAIKO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.43
Rot. Bonds7

About N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine

N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine (PubChem CID 63179252) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
PubChem CID63179252
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-3-19(4-2)15-12-18-16-8-10-17(11-9-16)20-13-6-5-7-14-20/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyQEMOQSOIFHAIKO-UHFFFAOYSA-N
XLogP3.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109030656
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine (CID 63179252) is N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine is CCN(CC)CCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine?
The InChIKey is QEMOQSOIFHAIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-19(4-2)15-12-18-16-8-10-17(11-9-16)20-13-6-5-7-14-20/h8-11,18H,3-7,12-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine?
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63179252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).