4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine

C16H23NO2 — CID 117274189

IUPAC4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine
SMILESCC1(COc2ccc(C3CCNCC3)cc2)COC1
InChIInChI=1S/C16H23NO2/c1-16(10-18-11-16)12-19-15-4-2-13(3-5-15)14-6-8-17-9-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyUMEMZRCEMIZTRH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.57
Rot. Bonds4

About 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine

4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine (PubChem CID 117274189) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine
PubChem CID117274189
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine
SMILESCC1(COc2ccc(C3CCNCC3)cc2)COC1
InChIInChI=1S/C16H23NO2/c1-16(10-18-11-16)12-19-15-4-2-13(3-5-15)14-6-8-17-9-7-14/h2-5,14,17H,6-12H2,1H3
InChIKeyUMEMZRCEMIZTRH-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)piperidine
CID 21495191
trimethyl-(4-piperidin-4-ylphenoxy)silane
CID 167737433
3-[[4-[1,1-bis[4-[(3-methyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-methyloxetane
CID 101196540
2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
4-(4-octoxyphenyl)piperidine
CID 90176821
2-methyl-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrrolidine
CID 117408371
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
4-[4-[[(1S)-2,2-difluorocyclopropyl]methoxy]phenyl]piperidine
CID 129387347
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
CID 84699476
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]-6-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 158405539
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine?
The IUPAC name of 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine (CID 117274189) is 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine is CC1(COc2ccc(C3CCNCC3)cc2)COC1.
What is the InChIKey of 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine?
The InChIKey is UMEMZRCEMIZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(10-18-11-16)12-19-15-4-2-13(3-5-15)14-6-8-17-9-7-14/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine?
4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine is sourced from PubChem (CID 117274189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).