2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

C16H28N4O — CID 29021769

IUPAC2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1[nH]cnc1CN1CCN(C2CCCC2)[C@@H](CCO)C1
InChIInChI=1S/C16H28N4O/c1-13-16(18-12-17-13)11-19-7-8-20(14-4-2-3-5-14)15(10-19)6-9-21/h12,14-15,21H,2-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyOOMQZIHZOAAPLD-HNNXBMFYSA-N
MW292.43 g/mol
LogP1.53
Rot. Bonds5

About 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29021769) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29021769
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1[nH]cnc1CN1CCN(C2CCCC2)[C@@H](CCO)C1
InChIInChI=1S/C16H28N4O/c1-13-16(18-12-17-13)11-19-7-8-20(14-4-2-3-5-14)15(10-19)6-9-21/h12,14-15,21H,2-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyOOMQZIHZOAAPLD-HNNXBMFYSA-N
XLogP1.53
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 29021769) is 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is Cc1[nH]cnc1CN1CCN(C2CCCC2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is OOMQZIHZOAAPLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-16(18-12-17-13)11-19-7-8-20(14-4-2-3-5-14)15(10-19)6-9-21/h12,14-15,21H,2-11H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29021769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).