3-(4-tert-butylphenoxy)piperidine;molecular hydrogen

C15H25NO — CID 144656061

IUPAC3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
SMILESCC(C)(C)c1ccc(OC2CCCNC2)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;/h6-9,14,16H,4-5,10-11H2,1-3H3;1H
InChIKeyDVLXJQFPDORUHJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds2

About 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen

3-(4-tert-butylphenoxy)piperidine;molecular hydrogen (PubChem CID 144656061) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
PubChem CID144656061
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(4-tert-butylphenoxy)piperidine;molecular hydrogen
SMILESCC(C)(C)c1ccc(OC2CCCNC2)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;/h6-9,14,16H,4-5,10-11H2,1-3H3;1H
InChIKeyDVLXJQFPDORUHJ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
(2r)-2-[(4-Benzylphenoxy)methyl]pyrrolidine
CID 16222640
4-(2-(Phenoxymethyl)phenyl)piperidine
CID 45483527
(R/S)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888070
(R)-2-((4-benzylphenoxy)methyl)piperidine
CID 46888101
4-[(4-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9795842
4-[(3-Fluoro-phenoxy)-phenyl-methyl]-piperidine
CID 9817317
(3-Phenoxy-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10708280
[2-(3,4-Dimethyl-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10780510
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
1-[2-[4-(1-Methyl-1-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 1329134
(2-Phenoxyethyl)(2-phenylethyl)amine
CID 2183053

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen?
The IUPAC name of 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen (CID 144656061) is 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen.
What is the SMILES notation for 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen?
The canonical SMILES for 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen is CC(C)(C)c1ccc(OC2CCCNC2)cc1.[H][H].
What is the InChIKey of 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen?
The InChIKey is DVLXJQFPDORUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.H2/c1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;/h6-9,14,16H,4-5,10-11H2,1-3H3;1H.
What are the key properties of 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen?
3-(4-tert-butylphenoxy)piperidine;molecular hydrogen has a molecular weight of 235.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)piperidine;molecular hydrogen is sourced from PubChem (CID 144656061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).