4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride

C16H26ClNO — CID 56830922

IUPAC4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
SMILESCc1ccc(OC2CCNCC2)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-12-5-6-15(14(11-12)16(2,3)4)18-13-7-9-17-10-8-13;/h5-6,11,13,17H,7-10H2,1-4H3;1H
InChIKeyFQVCVSGWLFSDTF-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.85
Rot. Bonds2

About 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride

4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride (PubChem CID 56830922) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
PubChem CID56830922
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
SMILESCc1ccc(OC2CCNCC2)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-12-5-6-15(14(11-12)16(2,3)4)18-13-7-9-17-10-8-13;/h5-6,11,13,17H,7-10H2,1-4H3;1H
InChIKeyFQVCVSGWLFSDTF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride (CID 56830922) is 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride is Cc1ccc(OC2CCNCC2)c(C(C)(C)C)c1.Cl.
What is the InChIKey of 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride?
The InChIKey is FQVCVSGWLFSDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-12-5-6-15(14(11-12)16(2,3)4)18-13-7-9-17-10-8-13;/h5-6,11,13,17H,7-10H2,1-4H3;1H.
What are the key properties of 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride?
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 56830922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).