4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine

C17H26ClNO — CID 53410034

IUPAC4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
SMILESCCC(C)(C)c1ccc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-4-17(2,3)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-6,11,13,19H,4,7-10,12H2,1-3H3
InChIKeyYIVVNVWFWATFTR-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.41
Rot. Bonds5

About 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine

4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine (PubChem CID 53410034) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
PubChem CID53410034
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
SMILESCCC(C)(C)c1ccc(OCC2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-4-17(2,3)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-6,11,13,19H,4,7-10,12H2,1-3H3
InChIKeyYIVVNVWFWATFTR-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
(3S)-3-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]pyrrolidine
CID 86320384
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride
CID 171109278
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
CID 146353183
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine?
The IUPAC name of 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine (CID 53410034) is 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine.
What is the SMILES notation for 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine?
The canonical SMILES for 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine is CCC(C)(C)c1ccc(OCC2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine?
The InChIKey is YIVVNVWFWATFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-17(2,3)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-6,11,13,19H,4,7-10,12H2,1-3H3.
What are the key properties of 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine?
4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine has a molecular weight of 295.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine is sourced from PubChem (CID 53410034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).