3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H20N4 — CID 82510231

IUPAC3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESNc1nc2c(cc1CN1CCNCC1)CCC2
InChIInChI=1S/C13H20N4/c14-13-11(9-17-6-4-15-5-7-17)8-10-2-1-3-12(10)16-13/h8,15H,1-7,9H2,(H2,14,16)
InChIKeyITRNCTGPVYYJRU-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.56
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 82510231) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID82510231
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESNc1nc2c(cc1CN1CCNCC1)CCC2
InChIInChI=1S/C13H20N4/c14-13-11(9-17-6-4-15-5-7-17)8-10-2-1-3-12(10)16-13/h8,15H,1-7,9H2,(H2,14,16)
InChIKeyITRNCTGPVYYJRU-UHFFFAOYSA-N
XLogP0.56
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
5,6,7,8-tetrahydroquinoline-2,3-diamine
CID 23122564
1-ethyl-4-(piperazin-1-ylmethyl)pyrazol-5-amine
CID 117216696
6-bromo-3-(piperazin-1-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983946
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651
3-(piperazin-1-ylmethyl)-5,7-dihydrofuro[3,4-b]pyridine
CID 83837195
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 82510231) is 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is Nc1nc2c(cc1CN1CCNCC1)CCC2.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is ITRNCTGPVYYJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13-11(9-17-6-4-15-5-7-17)8-10-2-1-3-12(10)16-13/h8,15H,1-7,9H2,(H2,14,16).
What are the key properties of 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 82510231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).