2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C20H36N4O — CID 45168042

IUPAC2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCCn1cc(CN2CCN(C3CCCCC3)C(CCO)C2)c(C)n1
InChIInChI=1S/C20H36N4O/c1-3-10-23-15-18(17(2)21-23)14-22-11-12-24(20(16-22)9-13-25)19-7-5-4-6-8-19/h15,19-20,25H,3-14,16H2,1-2H3
InChIKeyFIDWVZVRZUXDAP-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.80
Rot. Bonds7

About 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45168042) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45168042
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCCn1cc(CN2CCN(C3CCCCC3)C(CCO)C2)c(C)n1
InChIInChI=1S/C20H36N4O/c1-3-10-23-15-18(17(2)21-23)14-22-11-12-24(20(16-22)9-13-25)19-7-5-4-6-8-19/h15,19-20,25H,3-14,16H2,1-2H3
InChIKeyFIDWVZVRZUXDAP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45168042) is 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCCn1cc(CN2CCN(C3CCCCC3)C(CCO)C2)c(C)n1.
What is the InChIKey of 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is FIDWVZVRZUXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-10-23-15-18(17(2)21-23)14-22-11-12-24(20(16-22)9-13-25)19-7-5-4-6-8-19/h15,19-20,25H,3-14,16H2,1-2H3.
What are the key properties of 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 348.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45168042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).