(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine

C14H20F2N2 — CID 154669081

IUPAC(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](c1ccccc1)N(C)[C@@H]1CCNCC1(F)F
InChIInChI=1S/C14H20F2N2/c1-11(12-6-4-3-5-7-12)18(2)13-8-9-17-10-14(13,15)16/h3-7,11,13,17H,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyXKWYJMGERHLJNJ-DGCLKSJQSA-N
MW254.32 g/mol
LogP2.68
Rot. Bonds3

About (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine

(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine (PubChem CID 154669081) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine.

Molecular Properties

Compound Name(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
PubChem CID154669081
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](c1ccccc1)N(C)[C@@H]1CCNCC1(F)F
InChIInChI=1S/C14H20F2N2/c1-11(12-6-4-3-5-7-12)18(2)13-8-9-17-10-14(13,15)16/h3-7,11,13,17H,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyXKWYJMGERHLJNJ-DGCLKSJQSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The IUPAC name of (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine (CID 154669081) is (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine.
What is the SMILES notation for (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The canonical SMILES for (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine is C[C@H](c1ccccc1)N(C)[C@@H]1CCNCC1(F)F.
What is the InChIKey of (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine?
The InChIKey is XKWYJMGERHLJNJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11(12-6-4-3-5-7-12)18(2)13-8-9-17-10-14(13,15)16/h3-7,11,13,17H,8-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine?
(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine is sourced from PubChem (CID 154669081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).