2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol

C14H20ClNO2 — CID 112553476

IUPAC2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
SMILESCCOC1CCN(Cc2cccc(Cl)c2O)CC1
InChIInChI=1S/C14H20ClNO2/c1-2-18-12-6-8-16(9-7-12)10-11-4-3-5-13(15)14(11)17/h3-5,12,17H,2,6-10H2,1H3
InChIKeyFHHDYNCSRZWOLC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol

2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol (PubChem CID 112553476) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
PubChem CID112553476
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
SMILESCCOC1CCN(Cc2cccc(Cl)c2O)CC1
InChIInChI=1S/C14H20ClNO2/c1-2-18-12-6-8-16(9-7-12)10-11-4-3-5-13(15)14(11)17/h3-5,12,17H,2,6-10H2,1H3
InChIKeyFHHDYNCSRZWOLC-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62427121
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
2-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 115903994
3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
CID 61220696
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
2-chloro-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenol
CID 114272041
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
2-chloro-6-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 112616380
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol (CID 112553476) is 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol is CCOC1CCN(Cc2cccc(Cl)c2O)CC1.
What is the InChIKey of 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol?
The InChIKey is FHHDYNCSRZWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-18-12-6-8-16(9-7-12)10-11-4-3-5-13(15)14(11)17/h3-5,12,17H,2,6-10H2,1H3.
What are the key properties of 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol?
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 112553476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).