4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride

C16H26ClNO — CID 46735634

IUPAC4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
SMILESCC(C)(C)c1ccc(OCC2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-16(2,3)14-4-6-15(7-5-14)18-12-13-8-10-17-11-9-13;/h4-7,13,17H,8-12H2,1-3H3;1H
InChIKeyBESDYIJBOWPGTO-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.78
Rot. Bonds3

About 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride

4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 46735634) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
PubChem CID46735634
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
SMILESCC(C)(C)c1ccc(OCC2CCNCC2)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-16(2,3)14-4-6-15(7-5-14)18-12-13-8-10-17-11-9-13;/h4-7,13,17H,8-12H2,1-3H3;1H
InChIKeyBESDYIJBOWPGTO-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride 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-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409611
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride (CID 46735634) is 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride is CC(C)(C)c1ccc(OCC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is BESDYIJBOWPGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-16(2,3)14-4-6-15(7-5-14)18-12-13-8-10-17-11-9-13;/h4-7,13,17H,8-12H2,1-3H3;1H.
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride?
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 46735634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).