2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol

C17H27N3O — CID 75100275

IUPAC2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
SMILESCCC1CNNC1C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C17H27N3O/c1-2-13-10-18-19-17(13)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)21/h3-4,6,8,13,15,17-19,21H,2,5,7,9-12H2,1H3
InChIKeyZUPFFFNPMBJIGL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.11
Rot. Bonds4

About 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol

2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol (PubChem CID 75100275) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
PubChem CID75100275
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
SMILESCCC1CNNC1C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C17H27N3O/c1-2-13-10-18-19-17(13)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)21/h3-4,6,8,13,15,17-19,21H,2,5,7,9-12H2,1H3
InChIKeyZUPFFFNPMBJIGL-UHFFFAOYSA-N
XLogP2.11
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine
CID 74591802
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74570100
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 75102647
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol (CID 75100275) is 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol is CCC1CNNC1C1CCCN(Cc2ccccc2O)C1.
What is the InChIKey of 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is ZUPFFFNPMBJIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-13-10-18-19-17(13)15-7-5-9-20(12-15)11-14-6-3-4-8-16(14)21/h3-4,6,8,13,15,17-19,21H,2,5,7,9-12H2,1H3.
What are the key properties of 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol?
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 289.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 75100275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).