3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine

C23H31NO2 — CID 174945032

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine
SMILESCOc1ccc(CC2CCCN(C(C)(C)c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H31NO2/c1-23(2,20-10-6-5-7-11-20)24-14-8-9-18(17-24)15-19-12-13-21(25-3)16-22(19)26-4/h5-7,10-13,16,18H,8-9,14-15,17H2,1-4H3
InChIKeyPSRZMHXJLADWMC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.89
Rot. Bonds6

About 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine

3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine (PubChem CID 174945032) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine
PubChem CID174945032
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine
SMILESCOc1ccc(CC2CCCN(C(C)(C)c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C23H31NO2/c1-23(2,20-10-6-5-7-11-20)24-14-8-9-18(17-24)15-19-12-13-21(25-3)16-22(19)26-4/h5-7,10-13,16,18H,8-9,14-15,17H2,1-4H3
InChIKeyPSRZMHXJLADWMC-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 26403271
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
CID 72871700
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine (CID 174945032) is 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine is COc1ccc(CC2CCCN(C(C)(C)c3ccccc3)C2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine?
The InChIKey is PSRZMHXJLADWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-23(2,20-10-6-5-7-11-20)24-14-8-9-18(17-24)15-19-12-13-21(25-3)16-22(19)26-4/h5-7,10-13,16,18H,8-9,14-15,17H2,1-4H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine?
3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine has a molecular weight of 353.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpropan-2-yl)piperidine is sourced from PubChem (CID 174945032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).