1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine

C12H16N2O — CID 57122160

IUPAC1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine
SMILESC1=COC2=C(N3CCNCC3)CCC2=C1
InChIInChI=1S/C12H16N2O/c1-2-10-3-4-11(12(10)15-9-1)14-7-5-13-6-8-14/h1-2,9,13H,3-8H2
InChIKeyMOSWUDPQOUJWOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.37
Rot. Bonds1

About 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine

1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine (PubChem CID 57122160) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine.

Molecular Properties

Compound Name1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine
PubChem CID57122160
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine
SMILESC1=COC2=C(N3CCNCC3)CCC2=C1
InChIInChI=1S/C12H16N2O/c1-2-10-3-4-11(12(10)15-9-1)14-7-5-13-6-8-14/h1-2,9,13H,3-8H2
InChIKeyMOSWUDPQOUJWOC-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoropiperidin-1-yl)ethyl]-1,4-dihydro-2-benzofuran-5-amine
CID 141076332
N-(cyclopropylmethyl)-5,6-dihydrocyclopenta[b]pyran-7-amine
CID 68136127
N-propan-2-yl-5,6-dihydrocyclopenta[b]pyran-7-amine
CID 68136604
1-[3,4-Bis(methoxymethyl)cyclohexa-1,3-dien-1-yl]-3-methylpiperazine
CID 70279012
9-Methoxy-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
CID 70575749
9-Methoxy-1-methyl-1,2,3,4,6,10-hexahydropyrazino[2,1-a]isoindole
CID 70577375
1,2,3,4-Tetrahydropyrano[3,2-e]indole
CID 141048155

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine?
The IUPAC name of 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine (CID 57122160) is 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine.
What is the SMILES notation for 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine?
The canonical SMILES for 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine is C1=COC2=C(N3CCNCC3)CCC2=C1.
What is the InChIKey of 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine?
The InChIKey is MOSWUDPQOUJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-3-4-11(12(10)15-9-1)14-7-5-13-6-8-14/h1-2,9,13H,3-8H2.
What are the key properties of 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine?
1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine has a molecular weight of 204.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrocyclopenta[b]pyran-7-yl)piperazine is sourced from PubChem (CID 57122160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).