4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine

C21H34N2O3 — CID 77094637

IUPAC4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCOc1ccc(OCC2CCN(CC(C)(C)N3CCOCC3)CC2)cc1
InChIInChI=1S/C21H34N2O3/c1-21(2,23-12-14-25-15-13-23)17-22-10-8-18(9-11-22)16-26-20-6-4-19(24-3)5-7-20/h4-7,18H,8-17H2,1-3H3
InChIKeyKJDCLSVBJCXAID-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.90
Rot. Bonds7

About 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine

4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 77094637) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
PubChem CID77094637
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCOc1ccc(OCC2CCN(CC(C)(C)N3CCOCC3)CC2)cc1
InChIInChI=1S/C21H34N2O3/c1-21(2,23-12-14-25-15-13-23)17-22-10-8-18(9-11-22)16-26-20-6-4-19(24-3)5-7-20/h4-7,18H,8-17H2,1-3H3
InChIKeyKJDCLSVBJCXAID-UHFFFAOYSA-N
XLogP2.90
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pramoxine
CID 4886
1-[2-(4-Methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
CID 166634459
1-[4-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2855866
1-[3-(4-Methoxyphenoxy)propyl]-3-methylpiperidine
CID 2923449
1-Cyclopropylmethyl-4-(4-phenoxy-phenoxymethyl)-piperidine
CID 10472266
1-[2-(4-Methylphenoxy)ethyl]-4-piperidino-piperidine
CID 44563700
1-(Cyclopropylmethyl)-4-[(4-methoxyphenoxy)methyl]piperidine;hydrate;hydrochloride
CID 45262237
1-[2-(4-Methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 166629214
(2R,6S)-1-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidine;hydrochloride
CID 166629374
1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
CID 166629742
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
CID 166630281
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine;hydrochloride
CID 166634040

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine (CID 77094637) is 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine is COc1ccc(OCC2CCN(CC(C)(C)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is KJDCLSVBJCXAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-21(2,23-12-14-25-15-13-23)17-22-10-8-18(9-11-22)16-26-20-6-4-19(24-3)5-7-20/h4-7,18H,8-17H2,1-3H3.
What are the key properties of 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 362.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 77094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).