(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol

C15H32N2O — CID 118889926

IUPAC(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
SMILESCCCC[C@H](O)CCCCN1CCN(CC)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-8-15(18)9-6-7-10-17-13-11-16(4-2)12-14-17/h15,18H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyOKKBVCCKPOCOJJ-HNNXBMFYSA-N
MW256.43 g/mol
LogP2.35
Rot. Bonds9

About (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol

(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol (PubChem CID 118889926) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol.

Molecular Properties

Compound Name(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
PubChem CID118889926
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
SMILESCCCC[C@H](O)CCCCN1CCN(CC)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-8-15(18)9-6-7-10-17-13-11-16(4-2)12-14-17/h15,18H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyOKKBVCCKPOCOJJ-HNNXBMFYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
CID 144712129
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
18-morpholin-4-yloctadecan-7-ol
CID 154324774
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
1-octylaziridine
CID 544653
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
icosane-5,11-diol
CID 170722582
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
CID 172776718
CID 172776718

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol?
The IUPAC name of (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol (CID 118889926) is (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol.
What is the SMILES notation for (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol?
The canonical SMILES for (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol is CCCC[C@H](O)CCCCN1CCN(CC)CC1.
What is the InChIKey of (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol?
The InChIKey is OKKBVCCKPOCOJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-8-15(18)9-6-7-10-17-13-11-16(4-2)12-14-17/h15,18H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol?
(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol has a molecular weight of 256.43 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol is sourced from PubChem (CID 118889926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).