1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol

C15H30N2O — CID 166696195

IUPAC1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol
SMILESC=C(C)[C@@H](CCC)CC1(O)CN(C)CCN1CC
InChIInChI=1S/C15H30N2O/c1-6-8-14(13(3)4)11-15(18)12-16(5)9-10-17(15)7-2/h14,18H,3,6-12H2,1-2,4-5H3/t14-,15?/m0/s1
InChIKeyUOHJRWWLTVUZBF-MLCCFXAWSA-N
MW254.42 g/mol
LogP2.32
Rot. Bonds6

About 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol

1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol (PubChem CID 166696195) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol.

Molecular Properties

Compound Name1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol
PubChem CID166696195
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol
SMILESC=C(C)[C@@H](CCC)CC1(O)CN(C)CCN1CC
InChIInChI=1S/C15H30N2O/c1-6-8-14(13(3)4)11-15(18)12-16(5)9-10-17(15)7-2/h14,18H,3,6-12H2,1-2,4-5H3/t14-,15?/m0/s1
InChIKeyUOHJRWWLTVUZBF-MLCCFXAWSA-N
XLogP2.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol?
The IUPAC name of 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol (CID 166696195) is 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol.
What is the SMILES notation for 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol?
The canonical SMILES for 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol is C=C(C)[C@@H](CCC)CC1(O)CN(C)CCN1CC.
What is the InChIKey of 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol?
The InChIKey is UOHJRWWLTVUZBF-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-8-14(13(3)4)11-15(18)12-16(5)9-10-17(15)7-2/h14,18H,3,6-12H2,1-2,4-5H3/t14-,15?/m0/s1.
What are the key properties of 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol?
1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2-[(2S)-2-prop-1-en-2-ylpentyl]piperazin-2-ol is sourced from PubChem (CID 166696195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).