1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine

C25H29NO2S — CID 71503019

IUPAC1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine
SMILESCOc1ccccc1C(c1ccc(OCCN2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C25H29NO2S/c1-27-23-9-4-3-8-22(23)25(24-10-7-19-29-24)20-11-13-21(14-12-20)28-18-17-26-15-5-2-6-16-26/h3-4,7-14,19,25H,2,5-6,15-18H2,1H3
InChIKeyWKKOVQLWCSPBHD-UHFFFAOYSA-N
MW407.58 g/mol
LogP5.80
Rot. Bonds8

About 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine

1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine (PubChem CID 71503019) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine
PubChem CID71503019
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC Name1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine
SMILESCOc1ccccc1C(c1ccc(OCCN2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C25H29NO2S/c1-27-23-9-4-3-8-22(23)25(24-10-7-19-29-24)20-11-13-21(14-12-20)28-18-17-26-15-5-2-6-16-26/h3-4,7-14,19,25H,2,5-6,15-18H2,1H3
InChIKeyWKKOVQLWCSPBHD-UHFFFAOYSA-N
XLogP5.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine (CID 71503019) is 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine is COc1ccccc1C(c1ccc(OCCN2CCCCC2)cc1)c1cccs1.
What is the InChIKey of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine?
The InChIKey is WKKOVQLWCSPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-27-23-9-4-3-8-22(23)25(24-10-7-19-29-24)20-11-13-21(14-12-20)28-18-17-26-15-5-2-6-16-26/h3-4,7-14,19,25H,2,5-6,15-18H2,1H3.
What are the key properties of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine?
1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine has a molecular weight of 407.58 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 71503019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).