1-(2-phenylpiperazin-1-yl)heptan-2-ol

C17H28N2O — CID 70408469

IUPAC1-(2-phenylpiperazin-1-yl)heptan-2-ol
SMILESCCCCCC(O)CN1CCNCC1c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-3-5-10-16(20)14-19-12-11-18-13-17(19)15-8-6-4-7-9-15/h4,6-9,16-18,20H,2-3,5,10-14H2,1H3
InChIKeyDAWZOQMZLUADBD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.57
Rot. Bonds7

About 1-(2-phenylpiperazin-1-yl)heptan-2-ol

1-(2-phenylpiperazin-1-yl)heptan-2-ol (PubChem CID 70408469) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-phenylpiperazin-1-yl)heptan-2-ol.

Molecular Properties

Compound Name1-(2-phenylpiperazin-1-yl)heptan-2-ol
PubChem CID70408469
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-phenylpiperazin-1-yl)heptan-2-ol
SMILESCCCCCC(O)CN1CCNCC1c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-3-5-10-16(20)14-19-12-11-18-13-17(19)15-8-6-4-7-9-15/h4,6-9,16-18,20H,2-3,5,10-14H2,1H3
InChIKeyDAWZOQMZLUADBD-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpiperazin-1-yl)heptan-2-ol?
The IUPAC name of 1-(2-phenylpiperazin-1-yl)heptan-2-ol (CID 70408469) is 1-(2-phenylpiperazin-1-yl)heptan-2-ol.
What is the SMILES notation for 1-(2-phenylpiperazin-1-yl)heptan-2-ol?
The canonical SMILES for 1-(2-phenylpiperazin-1-yl)heptan-2-ol is CCCCCC(O)CN1CCNCC1c1ccccc1.
What is the InChIKey of 1-(2-phenylpiperazin-1-yl)heptan-2-ol?
The InChIKey is DAWZOQMZLUADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-5-10-16(20)14-19-12-11-18-13-17(19)15-8-6-4-7-9-15/h4,6-9,16-18,20H,2-3,5,10-14H2,1H3.
What are the key properties of 1-(2-phenylpiperazin-1-yl)heptan-2-ol?
1-(2-phenylpiperazin-1-yl)heptan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpiperazin-1-yl)heptan-2-ol is sourced from PubChem (CID 70408469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).