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

C16H25NO — CID 43351932

IUPAC4-(4-tert-butyl-2-methylphenoxy)piperidine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCNCC1
InChIInChI=1S/C16H25NO/c1-12-11-13(16(2,3)4)5-6-15(12)18-14-7-9-17-10-8-14/h5-6,11,14,17H,7-10H2,1-4H3
InChIKeyNZKDWHSGUYOLNK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds2

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

4-(4-tert-butyl-2-methylphenoxy)piperidine (PubChem CID 43351932) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenoxy)piperidine
PubChem CID43351932
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(4-tert-butyl-2-methylphenoxy)piperidine
SMILESCc1cc(C(C)(C)C)ccc1OC1CCNCC1
InChIInChI=1S/C16H25NO/c1-12-11-13(16(2,3)4)5-6-15(12)18-14-7-9-17-10-8-14/h5-6,11,14,17H,7-10H2,1-4H3
InChIKeyNZKDWHSGUYOLNK-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butyl-2-methylphenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
3-(4-tert-butyl-2-methylphenoxy)cyclopentan-1-one
CID 112724669
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
4-tert-butyl-2-piperidin-4-yloxybenzoyl chloride
CID 86634203
4-tert-butyl-1-(3-chlorocyclobutyl)oxy-2-methylbenzene
CID 66344077
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
4-(4-bromo-2,5-dimethylphenoxy)piperidine
CID 84715274
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)piperidine?
The IUPAC name of 4-(4-tert-butyl-2-methylphenoxy)piperidine (CID 43351932) is 4-(4-tert-butyl-2-methylphenoxy)piperidine.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenoxy)piperidine?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenoxy)piperidine is Cc1cc(C(C)(C)C)ccc1OC1CCNCC1.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenoxy)piperidine?
The InChIKey is NZKDWHSGUYOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-11-13(16(2,3)4)5-6-15(12)18-14-7-9-17-10-8-14/h5-6,11,14,17H,7-10H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-2-methylphenoxy)piperidine?
4-(4-tert-butyl-2-methylphenoxy)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenoxy)piperidine is sourced from PubChem (CID 43351932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).