(3R)-3-[bis(4-fluorophenyl)methyl]piperidine

C18H19F2N — CID 166747896

IUPAC(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)[C@H]2CCCNC2)cc1
InChIInChI=1S/C18H19F2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h3-10,15,18,21H,1-2,11-12H2/t15-/m0/s1
InChIKeyAGPKKCGKCLBLFI-HNNXBMFYSA-N
MW287.35 g/mol
LogP4.10
Rot. Bonds3

About (3R)-3-[bis(4-fluorophenyl)methyl]piperidine

(3R)-3-[bis(4-fluorophenyl)methyl]piperidine (PubChem CID 166747896) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is (3R)-3-[bis(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
PubChem CID166747896
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)[C@H]2CCCNC2)cc1
InChIInChI=1S/C18H19F2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h3-10,15,18,21H,1-2,11-12H2/t15-/m0/s1
InChIKeyAGPKKCGKCLBLFI-HNNXBMFYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-fluorophenyl)propyl]piperidine
CID 83910611
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
4-fluoro-N-(3-methyl-1-piperidin-3-ylpentyl)aniline
CID 175967854
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[bis(4-fluorophenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[bis(4-fluorophenyl)methyl]piperidine (CID 166747896) is (3R)-3-[bis(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[bis(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[bis(4-fluorophenyl)methyl]piperidine is Fc1ccc(C(c2ccc(F)cc2)[C@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[bis(4-fluorophenyl)methyl]piperidine?
The InChIKey is AGPKKCGKCLBLFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h3-10,15,18,21H,1-2,11-12H2/t15-/m0/s1.
What are the key properties of (3R)-3-[bis(4-fluorophenyl)methyl]piperidine?
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine has a molecular weight of 287.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[bis(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 166747896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).