[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol

C14H20ClNO2 — CID 61221101

IUPAC[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
SMILESCCOC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H20ClNO2/c1-2-18-11-6-8-16(9-7-11)14-5-3-4-13(15)12(14)10-17/h3-5,11,17H,2,6-10H2,1H3
InChIKeyZRNIMEIHIKJNBV-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.84
Rot. Bonds4

About [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol

[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol (PubChem CID 61221101) 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)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
PubChem CID61221101
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
SMILESCCOC1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C14H20ClNO2/c1-2-18-11-6-8-16(9-7-11)14-5-3-4-13(15)12(14)10-17/h3-5,11,17H,2,6-10H2,1H3
InChIKeyZRNIMEIHIKJNBV-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-3-chlorophenyl]-4-ethoxypiperidine
CID 107080806
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
CID 61220696
(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
CID 54989374
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol (CID 61221101) is [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol is CCOC1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol?
The InChIKey is ZRNIMEIHIKJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-18-11-6-8-16(9-7-11)14-5-3-4-13(15)12(14)10-17/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of [2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol?
[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.84, 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)phenyl]methanol is sourced from PubChem (CID 61221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).