4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine

C14H19BrFN — CID 155412980

IUPAC4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine
SMILESC[C@H](F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrFN/c1-11(16)10-17-8-6-13(7-9-17)12-2-4-14(15)5-3-12/h2-5,11,13H,6-10H2,1H3/t11-/m0/s1
InChIKeyFMUXHSKXWTZVJM-NSHDSACASA-N
MW300.21 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine

4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine (PubChem CID 155412980) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine
PubChem CID155412980
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine
SMILESC[C@H](F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrFN/c1-11(16)10-17-8-6-13(7-9-17)12-2-4-14(15)5-3-12/h2-5,11,13H,6-10H2,1H3/t11-/m0/s1
InChIKeyFMUXHSKXWTZVJM-NSHDSACASA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine (CID 155412980) is 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine is C[C@H](F)CN1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine?
The InChIKey is FMUXHSKXWTZVJM-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrFN/c1-11(16)10-17-8-6-13(7-9-17)12-2-4-14(15)5-3-12/h2-5,11,13H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine?
4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine has a molecular weight of 300.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine is sourced from PubChem (CID 155412980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).