2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine

C17H26ClNO — CID 53408946

IUPAC2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
SMILESCC(C)(C)c1cc(Cl)ccc1OCCC1CCCCN1
InChIInChI=1S/C17H26ClNO/c1-17(2,3)15-12-13(18)7-8-16(15)20-11-9-14-6-4-5-10-19-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3
InChIKeyKKOSSLOUJMFXTP-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.55
Rot. Bonds4

About 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine

2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine (PubChem CID 53408946) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
PubChem CID53408946
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine
SMILESCC(C)(C)c1cc(Cl)ccc1OCCC1CCCCN1
InChIInChI=1S/C17H26ClNO/c1-17(2,3)15-12-13(18)7-8-16(15)20-11-9-14-6-4-5-10-19-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3
InChIKeyKKOSSLOUJMFXTP-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
CID 56829684
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine (CID 53408946) is 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine is CC(C)(C)c1cc(Cl)ccc1OCCC1CCCCN1.
What is the InChIKey of 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine?
The InChIKey is KKOSSLOUJMFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,3)15-12-13(18)7-8-16(15)20-11-9-14-6-4-5-10-19-14/h7-8,12,14,19H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine?
2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine has a molecular weight of 295.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 53408946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).