1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine

C22H29NO4 — CID 13194422

IUPAC1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
SMILESCOc1cc(COC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-24-20-13-18(14-21(25-2)22(20)26-3)16-27-19-9-11-23(12-10-19)15-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3
InChIKeyJAZXLDNKNWMUTJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.89
Rot. Bonds8

About 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine

1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine (PubChem CID 13194422) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
PubChem CID13194422
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
SMILESCOc1cc(COC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-24-20-13-18(14-21(25-2)22(20)26-3)16-27-19-9-11-23(12-10-19)15-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3
InChIKeyJAZXLDNKNWMUTJ-UHFFFAOYSA-N
XLogP3.89
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
CID 117087606
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454
1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
CID 156722768
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine?
The IUPAC name of 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine (CID 13194422) is 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine.
What is the SMILES notation for 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine?
The canonical SMILES for 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine is COc1cc(COC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine?
The InChIKey is JAZXLDNKNWMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-24-20-13-18(14-21(25-2)22(20)26-3)16-27-19-9-11-23(12-10-19)15-17-7-5-4-6-8-17/h4-8,13-14,19H,9-12,15-16H2,1-3H3.
What are the key properties of 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine?
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine has a molecular weight of 371.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine is sourced from PubChem (CID 13194422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).