N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine

C15H23N3O — CID 156796877

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine
SMILESONc1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H23N3O/c19-16-14-7-3-4-8-15(14)18-11-9-17(10-12-18)13-5-1-2-6-13/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2
InChIKeyXDCQYXDSRUDNHA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine

N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine (PubChem CID 156796877) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine
PubChem CID156796877
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine
SMILESONc1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H23N3O/c19-16-14-7-3-4-8-15(14)18-11-9-17(10-12-18)13-5-1-2-6-13/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2
InChIKeyXDCQYXDSRUDNHA-UHFFFAOYSA-N
XLogP2.55
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine (CID 156796877) is N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine is ONc1ccccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine?
The InChIKey is XDCQYXDSRUDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-16-14-7-3-4-8-15(14)18-11-9-17(10-12-18)13-5-1-2-6-13/h3-4,7-8,13,16,19H,1-2,5-6,9-12H2.
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine?
N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine has a molecular weight of 261.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine is sourced from PubChem (CID 156796877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).