1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine

C18H27NO — CID 71038694

IUPAC1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)=C(C)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)16(3)17-7-9-18(10-8-17)20-14-13-19-11-5-4-6-12-19/h7-10H,4-6,11-14H2,1-3H3
InChIKeyQQYVJDBNOKJKPB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.36
Rot. Bonds5

About 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine

1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine (PubChem CID 71038694) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
PubChem CID71038694
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
SMILESCC(C)=C(C)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)16(3)17-7-9-18(10-8-17)20-14-13-19-11-5-4-6-12-19/h7-10H,4-6,11-14H2,1-3H3
InChIKeyQQYVJDBNOKJKPB-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-1-enyl]phenol
CID 171935752
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine (CID 71038694) is 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine is CC(C)=C(C)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine?
The InChIKey is QQYVJDBNOKJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(2)16(3)17-7-9-18(10-8-17)20-14-13-19-11-5-4-6-12-19/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine?
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 71038694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).