1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine

C16H27N5 — CID 82171508

IUPAC1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine
SMILESCCN1CCC(N)C(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H27N5/c1-2-19-8-6-14(17)15(13-19)20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15H,2,6,8-13,17H2,1H3
InChIKeyOOHHFASWSJXHOT-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.63
Rot. Bonds3

About 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine

1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine (PubChem CID 82171508) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine
PubChem CID82171508
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine
SMILESCCN1CCC(N)C(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C16H27N5/c1-2-19-8-6-14(17)15(13-19)20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15H,2,6,8-13,17H2,1H3
InChIKeyOOHHFASWSJXHOT-UHFFFAOYSA-N
XLogP0.63
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine 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

2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
(3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 28784303
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
(3R,4R)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 26329721
(3S,4S)-1-[(E)-3-phenylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 45246395
(3S,4S)-1-(pyridin-3-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 45251467
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine?
The IUPAC name of 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine (CID 82171508) is 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine is CCN1CCC(N)C(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine?
The InChIKey is OOHHFASWSJXHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-19-8-6-14(17)15(13-19)20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15H,2,6,8-13,17H2,1H3.
What are the key properties of 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine?
1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)piperidin-4-amine is sourced from PubChem (CID 82171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).