2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol

C14H19ClFNO — CID 113345056

IUPAC2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c15-13-6-3-4-11(14(13)16)10-17-8-2-1-5-12(17)7-9-18/h3-4,6,12,18H,1-2,5,7-10H2
InChIKeyMUTJQTNJUJEUPN-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.22
Rot. Bonds4

About 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol

2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 113345056) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
PubChem CID113345056
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c15-13-6-3-4-11(14(13)16)10-17-8-2-1-5-12(17)7-9-18/h3-4,6,12,18H,1-2,5,7-10H2
InChIKeyMUTJQTNJUJEUPN-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103886136
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
1-[(3-chloro-2-fluorophenyl)methyl]piperidine-2-carbothioamide
CID 102855939
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
1-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carbothioamide
CID 102855938
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol (CID 113345056) is 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is MUTJQTNJUJEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-6-3-4-11(14(13)16)10-17-8-2-1-5-12(17)7-9-18/h3-4,6,12,18H,1-2,5,7-10H2.
What are the key properties of 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol?
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 271.76 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 113345056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).