4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol

C12H16ClFN2O — CID 56773869

IUPAC4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol
SMILESOC1(CNc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2
InChIKeyJJBLRCNVYLCYHR-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.01
Rot. Bonds3

About 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol

4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol (PubChem CID 56773869) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol
PubChem CID56773869
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol
SMILESOC1(CNc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2
InChIKeyJJBLRCNVYLCYHR-UHFFFAOYSA-N
XLogP2.01
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol (CID 56773869) is 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol is OC1(CNc2ccc(Cl)cc2F)CCNCC1.
What is the InChIKey of 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol?
The InChIKey is JJBLRCNVYLCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-1-2-11(10(14)7-9)16-8-12(17)3-5-15-6-4-12/h1-2,7,15-17H,3-6,8H2.
What are the key properties of 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol?
4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol has a molecular weight of 258.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluoroanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 56773869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).