3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine

C18H28N2O2 — CID 117489948

IUPAC3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
SMILESCOc1ccc(CC2CCNCC2)cc1OC1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-21-17-5-4-15(11-14-6-9-19-10-7-14)12-18(17)22-16-3-2-8-20-13-16/h4-5,12,14,16,19-20H,2-3,6-11,13H2,1H3
InChIKeyYTFLAYZAXRCYOS-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine

3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine (PubChem CID 117489948) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine.

Molecular Properties

Compound Name3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
PubChem CID117489948
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
SMILESCOc1ccc(CC2CCNCC2)cc1OC1CCCNC1
InChIInChI=1S/C18H28N2O2/c1-21-17-5-4-15(11-14-6-9-19-10-7-14)12-18(17)22-16-3-2-8-20-13-16/h4-5,12,14,16,19-20H,2-3,6-11,13H2,1H3
InChIKeyYTFLAYZAXRCYOS-UHFFFAOYSA-N
XLogP2.37
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
O-[2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethyl]hydroxylamine
CID 117420163
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine?
The IUPAC name of 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine (CID 117489948) is 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine.
What is the SMILES notation for 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine?
The canonical SMILES for 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine is COc1ccc(CC2CCNCC2)cc1OC1CCCNC1.
What is the InChIKey of 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine?
The InChIKey is YTFLAYZAXRCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-17-5-4-15(11-14-6-9-19-10-7-14)12-18(17)22-16-3-2-8-20-13-16/h4-5,12,14,16,19-20H,2-3,6-11,13H2,1H3.
What are the key properties of 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine?
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine has a molecular weight of 304.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine is sourced from PubChem (CID 117489948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).