(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine

C16H25NO — CID 26190819

IUPAC(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
SMILESCC[C@@H](C)c1ccc(OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-12-14-5-4-10-17-11-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyVLCUYWIAVUHSMP-ZIAGYGMSSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds5

About (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine

(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine (PubChem CID 26190819) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
PubChem CID26190819
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
SMILESCC[C@@H](C)c1ccc(OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-12-14-5-4-10-17-11-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyVLCUYWIAVUHSMP-ZIAGYGMSSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]pyrrolidine
CID 86320096
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine?
The IUPAC name of (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine (CID 26190819) is (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine.
What is the SMILES notation for (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine?
The canonical SMILES for (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine is CC[C@@H](C)c1ccc(OC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine?
The InChIKey is VLCUYWIAVUHSMP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-12-14-5-4-10-17-11-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine?
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine is sourced from PubChem (CID 26190819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).