3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine

C19H31NO — CID 62356360

IUPAC3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cccc(C(C)C)c1OCCC1CCCNC1
InChIInChI=1S/C19H31NO/c1-14(2)17-8-5-9-18(15(3)4)19(17)21-12-10-16-7-6-11-20-13-16/h5,8-9,14-16,20H,6-7,10-13H2,1-4H3
InChIKeyBLUCMGIKSHKQOT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.70
Rot. Bonds6

About 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine

3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine (PubChem CID 62356360) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
PubChem CID62356360
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cccc(C(C)C)c1OCCC1CCCNC1
InChIInChI=1S/C19H31NO/c1-14(2)17-8-5-9-18(15(3)4)19(17)21-12-10-16-7-6-11-20-13-16/h5,8-9,14-16,20H,6-7,10-13H2,1-4H3
InChIKeyBLUCMGIKSHKQOT-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine (CID 62356360) is 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine is CC(C)c1cccc(C(C)C)c1OCCC1CCCNC1.
What is the InChIKey of 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is BLUCMGIKSHKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17-8-5-9-18(15(3)4)19(17)21-12-10-16-7-6-11-20-13-16/h5,8-9,14-16,20H,6-7,10-13H2,1-4H3.
What are the key properties of 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine?
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 62356360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).