2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole

C11H17N3 — CID 82463423

IUPAC2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1Cc2nc(C3CCNCC3)[nH]c2C1
InChIInChI=1S/C11H17N3/c1-2-9-10(3-1)14-11(13-9)8-4-6-12-7-5-8/h8,12H,1-7H2,(H,13,14)
InChIKeyXVLBSGSANYXSLB-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.37
Rot. Bonds1

About 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole

2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 82463423) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
PubChem CID82463423
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1Cc2nc(C3CCNCC3)[nH]c2C1
InChIInChI=1S/C11H17N3/c1-2-9-10(3-1)14-11(13-9)8-4-6-12-7-5-8/h8,12H,1-7H2,(H,13,14)
InChIKeyXVLBSGSANYXSLB-UHFFFAOYSA-N
XLogP1.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The IUPAC name of 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 82463423) is 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole.
What is the SMILES notation for 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The canonical SMILES for 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole is C1Cc2nc(C3CCNCC3)[nH]c2C1.
What is the InChIKey of 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The InChIKey is XVLBSGSANYXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9-10(3-1)14-11(13-9)8-4-6-12-7-5-8/h8,12H,1-7H2,(H,13,14).
What are the key properties of 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 191.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 82463423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).