4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine

C21H27NO2 — CID 765092

IUPAC4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H27NO2/c1-23-20-9-8-19(15-21(20)24-2)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3
InChIKeyHLIKMPYBPSBSSF-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.16
Rot. Bonds6

About 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine

4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 765092) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
PubChem CID765092
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H27NO2/c1-23-20-9-8-19(15-21(20)24-2)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3
InChIKeyHLIKMPYBPSBSSF-UHFFFAOYSA-N
XLogP4.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
(E)-1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 46871936
3-(2-chloroethyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine
CID 114800709
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine (CID 765092) is 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is HLIKMPYBPSBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-23-20-9-8-19(15-21(20)24-2)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3.
What are the key properties of 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 325.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).