2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C20H36N4O — CID 45193705

IUPAC2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C
InChIInChI=1S/C20H36N4O/c1-3-24-17(2)19(13-21-24)15-22-10-11-23(20(16-22)9-12-25)14-18-7-5-4-6-8-18/h13,18,20,25H,3-12,14-16H2,1-2H3
InChIKeyRUPPHAWLJWGPBA-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.66
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45193705) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45193705
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C
InChIInChI=1S/C20H36N4O/c1-3-24-17(2)19(13-21-24)15-22-10-11-23(20(16-22)9-12-25)14-18-7-5-4-6-8-18/h13,18,20,25H,3-12,14-16H2,1-2H3
InChIKeyRUPPHAWLJWGPBA-UHFFFAOYSA-N
XLogP2.66
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45193705) is 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCn1ncc(CN2CCN(CC3CCCCC3)C(CCO)C2)c1C.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is RUPPHAWLJWGPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-24-17(2)19(13-21-24)15-22-10-11-23(20(16-22)9-12-25)14-18-7-5-4-6-8-18/h13,18,20,25H,3-12,14-16H2,1-2H3.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 348.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45193705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).