(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine

C18H18Cl2F2N2 — CID 141067642

IUPAC(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine
SMILESN[C@H]1C[C@@H](Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-16(20)18(15)24-9-11(7-14(23)10-24)6-12-4-5-13(21)8-17(12)22/h1-5,8,11,14H,6-7,9-10,23H2/t11-,14+/m1/s1
InChIKeyVLSOITXGVLKCTL-RISCZKNCSA-N
MW371.26 g/mol
LogP4.67
Rot. Bonds3

About (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine

(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine (PubChem CID 141067642) has the molecular formula C18H18Cl2F2N2 and a molecular weight of 371.26 g/mol. Its IUPAC name is (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine
PubChem CID141067642
Molecular FormulaC18H18Cl2F2N2
Molecular Weight371.26 g/mol
Exact Mass370.08
IUPAC Name(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine
SMILESN[C@H]1C[C@@H](Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-16(20)18(15)24-9-11(7-14(23)10-24)6-12-4-5-13(21)8-17(12)22/h1-5,8,11,14H,6-7,9-10,23H2/t11-,14+/m1/s1
InChIKeyVLSOITXGVLKCTL-RISCZKNCSA-N
XLogP4.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine (CID 141067642) is (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine is N[C@H]1C[C@@H](Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine?
The InChIKey is VLSOITXGVLKCTL-RISCZKNCSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2/c19-15-2-1-3-16(20)18(15)24-9-11(7-14(23)10-24)6-12-4-5-13(21)8-17(12)22/h1-5,8,11,14H,6-7,9-10,23H2/t11-,14+/m1/s1.
What are the key properties of (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine?
(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine has a molecular weight of 371.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 141067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).