(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine

C18H29NO — CID 6544925

IUPAC(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
SMILESCC[C@@H](C)c1ccccc1OCCN1CCC[C@@H](C)C1
InChIInChI=1S/C18H29NO/c1-4-16(3)17-9-5-6-10-18(17)20-13-12-19-11-7-8-15(2)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyODYGTZFICIVCRH-HZPDHXFCSA-N
MW275.44 g/mol
LogP4.31
Rot. Bonds6

About (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine

(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine (PubChem CID 6544925) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
PubChem CID6544925
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
SMILESCC[C@@H](C)c1ccccc1OCCN1CCC[C@@H](C)C1
InChIInChI=1S/C18H29NO/c1-4-16(3)17-9-5-6-10-18(17)20-13-12-19-11-7-8-15(2)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyODYGTZFICIVCRH-HZPDHXFCSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-butan-2-ylphenoxy)ethyl]-4-methylpiperidine;oxalic acid
CID 2922789
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
CID 2943811
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
CID 99931082
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine (CID 6544925) is (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine is CC[C@@H](C)c1ccccc1OCCN1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine?
The InChIKey is ODYGTZFICIVCRH-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-16(3)17-9-5-6-10-18(17)20-13-12-19-11-7-8-15(2)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine?
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine is sourced from PubChem (CID 6544925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).