4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine

C15H22BrNO — CID 86322054

IUPAC4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
SMILESCC[C@H](C)c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyVFUUYAZUGFXLBK-NSHDSACASA-N
MW312.25 g/mol
LogP4.09
Rot. Bonds4

About 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine

4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine (PubChem CID 86322054) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine.

Molecular Properties

Compound Name4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
PubChem CID86322054
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
SMILESCC[C@H](C)c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-3-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1
InChIKeyVFUUYAZUGFXLBK-NSHDSACASA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-butan-2-ylphenoxy)piperidine
CID 56830691
3-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine;hydrochloride
CID 56830692
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]pyrrolidine
CID 86320096
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
methyl 4-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine-2-carboxylate
CID 53410545

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine?
The IUPAC name of 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine (CID 86322054) is 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine.
What is the SMILES notation for 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine?
The canonical SMILES for 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine is CC[C@H](C)c1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine?
The InChIKey is VFUUYAZUGFXLBK-NSHDSACASA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-11(2)12-4-5-15(14(16)10-12)18-13-6-8-17-9-7-13/h4-5,10-11,13,17H,3,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine?
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine is sourced from PubChem (CID 86322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).