N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine

C15H26N4 — CID 115214538

IUPACN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESNCCN1CCC(CNCCc2ccncc2)CC1
InChIInChI=1S/C15H26N4/c16-6-12-19-10-4-15(5-11-19)13-18-9-3-14-1-7-17-8-2-14/h1-2,7-8,15,18H,3-6,9-13,16H2
InChIKeyRHEPRLJHXTTWAJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.88
Rot. Bonds7

About N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine (PubChem CID 115214538) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
PubChem CID115214538
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESNCCN1CCC(CNCCc2ccncc2)CC1
InChIInChI=1S/C15H26N4/c16-6-12-19-10-4-15(5-11-19)13-18-9-3-14-1-7-17-8-2-14/h1-2,7-8,15,18H,3-6,9-13,16H2
InChIKeyRHEPRLJHXTTWAJ-UHFFFAOYSA-N
XLogP0.88
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine 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-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
CID 116926581
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115214555
1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
CID 63296814
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine (CID 115214538) is N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine is NCCN1CCC(CNCCc2ccncc2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
The InChIKey is RHEPRLJHXTTWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c16-6-12-19-10-4-15(5-11-19)13-18-9-3-14-1-7-17-8-2-14/h1-2,7-8,15,18H,3-6,9-13,16H2.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine?
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 115214538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).