2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol

C20H25NO — CID 175530108

IUPAC2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol
SMILESCN1CCC(CCc2ccccc2-c2ccccc2O)CC1
InChIInChI=1S/C20H25NO/c1-21-14-12-16(13-15-21)10-11-17-6-2-3-7-18(17)19-8-4-5-9-20(19)22/h2-9,16,22H,10-15H2,1H3
InChIKeyIGHIMLUOONRLEJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol

2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol (PubChem CID 175530108) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol
PubChem CID175530108
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol
SMILESCN1CCC(CCc2ccccc2-c2ccccc2O)CC1
InChIInChI=1S/C20H25NO/c1-21-14-12-16(13-15-21)10-11-17-6-2-3-7-18(17)19-8-4-5-9-20(19)22/h2-9,16,22H,10-15H2,1H3
InChIKeyIGHIMLUOONRLEJ-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenol
CID 153351940
2-[2-(1-ethylpiperidin-4-yl)ethyl]phenol
CID 70831004
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-(2-cyclopentylethyl)phenol
CID 57085599
2-[3-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1-pyridinyl]acetic acid
CID 22973373
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
2-(2-pentylphenyl)phenol
CID 66866892
4-benzyl-1-methylpiperidine;ethane
CID 142009767
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol?
The IUPAC name of 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol (CID 175530108) is 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol.
What is the SMILES notation for 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol?
The canonical SMILES for 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol is CN1CCC(CCc2ccccc2-c2ccccc2O)CC1.
What is the InChIKey of 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol?
The InChIKey is IGHIMLUOONRLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21-14-12-16(13-15-21)10-11-17-6-2-3-7-18(17)19-8-4-5-9-20(19)22/h2-9,16,22H,10-15H2,1H3.
What are the key properties of 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol?
2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol has a molecular weight of 295.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]phenol is sourced from PubChem (CID 175530108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).