2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol

C17H26N2O2 — CID 82959226

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-6-14(17(20)12-16)13-18-8-10-19(11-9-18)15-4-2-3-5-15/h6-7,12,15,20H,2-5,8-11,13H2,1H3
InChIKeyHLPHWQBIVUXPKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds4

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol (PubChem CID 82959226) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
PubChem CID82959226
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCN(C3CCCC3)CC2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-6-14(17(20)12-16)13-18-8-10-19(11-9-18)15-4-2-3-5-15/h6-7,12,15,20H,2-5,8-11,13H2,1H3
InChIKeyHLPHWQBIVUXPKF-UHFFFAOYSA-N
XLogP2.46
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
5-methoxy-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol
CID 82979792
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol (CID 82959226) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol is COc1ccc(CN2CCN(C3CCCC3)CC2)c(O)c1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol?
The InChIKey is HLPHWQBIVUXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-7-6-14(17(20)12-16)13-18-8-10-19(11-9-18)15-4-2-3-5-15/h6-7,12,15,20H,2-5,8-11,13H2,1H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol is sourced from PubChem (CID 82959226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).