2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol

C13H17ClFNO — CID 117026003

IUPAC2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFNO/c14-12-8-11(3-4-13(12)15)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeySVYHPNLHQSRHEN-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.08
Rot. Bonds3

About 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol

2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol (PubChem CID 117026003) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol
PubChem CID117026003
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFNO/c14-12-8-11(3-4-13(12)15)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeySVYHPNLHQSRHEN-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-(3-Chlorophenyl)piperazin-1-yl)propan-1-ol
CID 257407
[1-(4-Chlorophenyl)piperidin-3-yl]methanol
CID 10013911
1-(3-Chlorophenyl)piperidin-4-ol
CID 14212772
(1-(2-Amino-4-chlorophenyl)piperidin-4-yl)methanol
CID 43133157
2-(Benzyl-3-chloro-4-fluoroanilino)-1-propanol
CID 3761652
2-[Benzyl(3-chloro-4-fluorophenyl)amino]-3-cyclopropylpropan-1-ol
CID 11515504
2-(N-benzyl-3-chloro-4-fluoroanilino)pentane-1,5-diol
CID 11522919
2-(N-benzyl-3-chloro-4-fluoroanilino)pentan-1-ol
CID 11544299
2-(N-benzyl-3-chloro-4-fluoroanilino)butan-1-ol
CID 11551304
2-[Benzyl(3-chloro-4-fluorophenyl)amino]-3-methylbutan-1-ol
CID 11573330
2-[Benzyl(3-chloro-4-fluorophenyl)amino]pent-4-en-1-ol
CID 11681287
2-[(3-Chloro-4-fluorophenyl)(1-phenylethyl)amino]propan-1-ol
CID 11688120

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol (CID 117026003) is 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol is OCCC1CCCN(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol?
The InChIKey is SVYHPNLHQSRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-8-11(3-4-13(12)15)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2.
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol?
2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol has a molecular weight of 257.74 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 117026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).