6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol

C13H17ClFNO2 — CID 117437157

IUPAC6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1c(CC2CCCNC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-9(5-8-3-2-4-16-7-8)6-10(14)12(17)11(13)15/h6,8,16-17H,2-5,7H2,1H3
InChIKeyDECMABWEPJLTNC-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.74
Rot. Bonds3

About 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol

6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol (PubChem CID 117437157) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
PubChem CID117437157
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
SMILESCOc1c(CC2CCCNC2)cc(Cl)c(O)c1F
InChIInChI=1S/C13H17ClFNO2/c1-18-13-9(5-8-3-2-4-16-7-8)6-10(14)12(17)11(13)15/h6,8,16-17H,2-5,7H2,1H3
InChIKeyDECMABWEPJLTNC-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol (CID 117437157) is 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol is COc1c(CC2CCCNC2)cc(Cl)c(O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is DECMABWEPJLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-13-9(5-8-3-2-4-16-7-8)6-10(14)12(17)11(13)15/h6,8,16-17H,2-5,7H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol?
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 273.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 117437157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).