2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine

C17H27NO — CID 117408578

IUPAC2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C1CCCCN1
InChIInChI=1S/C17H27NO/c1-12-9-10-13(17(2,3)4)16(19-5)15(12)14-8-6-7-11-18-14/h9-10,14,18H,6-8,11H2,1-5H3
InChIKeyCQPAQKDEKQWHLH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.12
Rot. Bonds2

About 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine

2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine (PubChem CID 117408578) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
PubChem CID117408578
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C1CCCCN1
InChIInChI=1S/C17H27NO/c1-12-9-10-13(17(2,3)4)16(19-5)15(12)14-8-6-7-11-18-14/h9-10,14,18H,6-8,11H2,1-5H3
InChIKeyCQPAQKDEKQWHLH-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
CID 117426620
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine?
The IUPAC name of 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine (CID 117408578) is 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine?
The canonical SMILES for 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine is COc1c(C(C)(C)C)ccc(C)c1C1CCCCN1.
What is the InChIKey of 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine?
The InChIKey is CQPAQKDEKQWHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-10-13(17(2,3)4)16(19-5)15(12)14-8-6-7-11-18-14/h9-10,14,18H,6-8,11H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine?
2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine has a molecular weight of 261.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine is sourced from PubChem (CID 117408578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).