1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine

C29H35NO4 — CID 70102098

IUPAC1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2cc(OC(C)C)ccc2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H35NO4/c1-22(2)33-27-15-16-29(28(21-27)23-7-9-24(31-3)10-8-23)34-26-13-11-25(12-14-26)32-20-19-30-17-5-4-6-18-30/h7-16,21-22H,4-6,17-20H2,1-3H3
InChIKeyWDIUFUXRSVKRLA-UHFFFAOYSA-N
MW461.60 g/mol
LogP6.81
Rot. Bonds10

About 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine

1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine (PubChem CID 70102098) has the molecular formula C29H35NO4 and a molecular weight of 461.60 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine
PubChem CID70102098
Molecular FormulaC29H35NO4
Molecular Weight461.60 g/mol
Exact Mass461.26
IUPAC Name1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine
SMILESCOc1ccc(-c2cc(OC(C)C)ccc2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C29H35NO4/c1-22(2)33-27-15-16-29(28(21-27)23-7-9-24(31-3)10-8-23)34-26-13-11-25(12-14-26)32-20-19-30-17-5-4-6-18-30/h7-16,21-22H,4-6,17-20H2,1-3H3
InChIKeyWDIUFUXRSVKRLA-UHFFFAOYSA-N
XLogP6.81
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[5-(1-benzothiophen-2-yl)-2-methoxy-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine;hydrochloride
CID 139728773
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
1-[2-[4-[3-(1-benzothiophen-2-yl)-4-methoxyphenoxy]phenoxy]ethyl]piperidine
CID 139728772
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone
CID 67916212
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine (CID 70102098) is 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine is COc1ccc(-c2cc(OC(C)C)ccc2Oc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine?
The InChIKey is WDIUFUXRSVKRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4/c1-22(2)33-27-15-16-29(28(21-27)23-7-9-24(31-3)10-8-23)34-26-13-11-25(12-14-26)32-20-19-30-17-5-4-6-18-30/h7-16,21-22H,4-6,17-20H2,1-3H3.
What are the key properties of 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine?
1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine has a molecular weight of 461.60 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine is sourced from PubChem (CID 70102098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).