tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate

C18H27NO3 — CID 70239687

IUPACtert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C18H27NO3/c1-13-7-6-8-14(11-13)15-9-10-19(12-16(15)21-5)17(20)22-18(2,3)4/h6-8,11,15-16H,9-10,12H2,1-5H3/t15-,16+/m1/s1
InChIKeyXHLMWBBEOUOUSG-CVEARBPZSA-N
MW305.42 g/mol
LogP3.73
Rot. Bonds2

About tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate (PubChem CID 70239687) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
PubChem CID70239687
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C18H27NO3/c1-13-7-6-8-14(11-13)15-9-10-19(12-16(15)21-5)17(20)22-18(2,3)4/h6-8,11,15-16H,9-10,12H2,1-5H3/t15-,16+/m1/s1
InChIKeyXHLMWBBEOUOUSG-CVEARBPZSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-amino-4-(3-methylphenyl)piperidine-1-carboxylate
CID 39872174
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl (3S,4S)-4-(3,5-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566713
tert-butyl (3R,4S)-3-amino-4-(3,5-dimethylphenyl)piperidine-1-carboxylate
CID 95566717
tert-butyl (3S,4S)-3-amino-4-(3,5-dimethylphenyl)piperidine-1-carboxylate
CID 95566719
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
tert-butyl (3S,4R)-3-amino-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872224
tert-butyl (3R,4S)-4-(2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566624
tert-butyl 4-(3-bromo-5-methylphenyl)-3-methylpiperidine-1-carboxylate
CID 172993588
tert-butyl 4-[3-(2,3-dichlorophenyl)-1-methylpyrazol-5-yl]-3-methoxypiperidine-1-carboxylate
CID 23531035
tert-butyl 3-[3-(3-methylsulfonylphenyl)phenyl]-4-phenylpiperidine-1-carboxylate
CID 67000291
tert-butyl (4S)-3-methoxy-4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
CID 89063589

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate (CID 70239687) is tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate is CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(C)c1.
What is the InChIKey of tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate?
The InChIKey is XHLMWBBEOUOUSG-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13-7-6-8-14(11-13)15-9-10-19(12-16(15)21-5)17(20)22-18(2,3)4/h6-8,11,15-16H,9-10,12H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 70239687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).