2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol

C21H34N2O4 — CID 45224960

IUPAC2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(C3CCCC3)C(CCO)C2)cc(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-22-9-10-23(17-6-4-5-7-17)18(15-22)8-11-24/h12-13,17-18,24H,4-11,14-15H2,1-3H3
InChIKeyDARFYJFEXIDJBX-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.52
Rot. Bonds8

About 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45224960) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45224960
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(C3CCCC3)C(CCO)C2)cc(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-22-9-10-23(17-6-4-5-7-17)18(15-22)8-11-24/h12-13,17-18,24H,4-11,14-15H2,1-3H3
InChIKeyDARFYJFEXIDJBX-UHFFFAOYSA-N
XLogP2.52
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[1-(1-propan-2-ylpiperidin-4-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45178979
5-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 29154220
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
2-[4-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-cyclohexylpiperazin-2-yl]ethanol
CID 45184666
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
2-[1-(2,2-dimethylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45205517
2-[4-[(3,4-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45243864
2-[1-cyclohexyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45235277
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 45224960) is 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cc(CN2CCN(C3CCCC3)C(CCO)C2)cc(OC)c1OC.
What is the InChIKey of 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is DARFYJFEXIDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-22-9-10-23(17-6-4-5-7-17)18(15-22)8-11-24/h12-13,17-18,24H,4-11,14-15H2,1-3H3.
What are the key properties of 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 378.51 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45224960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).