2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C18H32N4O — CID 45180335

IUPAC2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(C3CCCC3)C(CCO)C2)c(C)n1
InChIInChI=1S/C18H32N4O/c1-3-21-13-16(15(2)19-21)12-20-9-10-22(17-6-4-5-7-17)18(14-20)8-11-23/h13,17-18,23H,3-12,14H2,1-2H3
InChIKeyDUIOVZJXLWZXHZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.02
Rot. Bonds6

About 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45180335) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45180335
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(C3CCCC3)C(CCO)C2)c(C)n1
InChIInChI=1S/C18H32N4O/c1-3-21-13-16(15(2)19-21)12-20-9-10-22(17-6-4-5-7-17)18(14-20)8-11-23/h13,17-18,23H,3-12,14H2,1-2H3
InChIKeyDUIOVZJXLWZXHZ-UHFFFAOYSA-N
XLogP2.02
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45180335) is 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCn1cc(CN2CCN(C3CCCC3)C(CCO)C2)c(C)n1.
What is the InChIKey of 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is DUIOVZJXLWZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-21-13-16(15(2)19-21)12-20-9-10-22(17-6-4-5-7-17)18(14-20)8-11-23/h13,17-18,23H,3-12,14H2,1-2H3.
What are the key properties of 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45180335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).