2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol

C15H30N2O — CID 29153175

IUPAC2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(CCCC2CCCC2)C[C@@H]1CCO
InChIInChI=1S/C15H30N2O/c1-16-10-11-17(13-15(16)8-12-18)9-4-7-14-5-2-3-6-14/h14-15,18H,2-13H2,1H3/t15-/m0/s1
InChIKeyIEAVKJMXPCCZFU-HNNXBMFYSA-N
MW254.42 g/mol
LogP1.96
Rot. Bonds6

About 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol

2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 29153175) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol
PubChem CID29153175
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(CCCC2CCCC2)C[C@@H]1CCO
InChIInChI=1S/C15H30N2O/c1-16-10-11-17(13-15(16)8-12-18)9-4-7-14-5-2-3-6-14/h14-15,18H,2-13H2,1H3/t15-/m0/s1
InChIKeyIEAVKJMXPCCZFU-HNNXBMFYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol (CID 29153175) is 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol is CN1CCN(CCCC2CCCC2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is IEAVKJMXPCCZFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-16-10-11-17(13-15(16)8-12-18)9-4-7-14-5-2-3-6-14/h14-15,18H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol?
2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 254.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3-cyclopentylpropyl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 29153175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).