2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol

C12H23N3O — CID 63179068

IUPAC2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol
SMILES[H]/N=C(\C1CCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O/c13-12(11-3-1-2-4-11)15-7-5-14(6-8-15)9-10-16/h11,13,16H,1-10H2/b13-12+
InChIKeyDKCUNGYWBALRLT-OUKQBFOZSA-N
MW225.34 g/mol
LogP0.76
Rot. Bonds3

About 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol

2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol (PubChem CID 63179068) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol
PubChem CID63179068
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol
SMILES[H]/N=C(\C1CCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O/c13-12(11-3-1-2-4-11)15-7-5-14(6-8-15)9-10-16/h11,13,16H,1-10H2/b13-12+
InChIKeyDKCUNGYWBALRLT-OUKQBFOZSA-N
XLogP0.76
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol (CID 63179068) is 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol is [H]/N=C(\C1CCCC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol?
The InChIKey is DKCUNGYWBALRLT-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(11-3-1-2-4-11)15-7-5-14(6-8-15)9-10-16/h11,13,16H,1-10H2/b13-12+.
What are the key properties of 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol?
2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol has a molecular weight of 225.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarboximidoyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 63179068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).