N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine

C28H34N2O4 — CID 4222218

IUPACN-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(NC2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)c(OC)c1
InChIInChI=1S/C28H34N2O4/c1-31-24-10-11-25(27(18-24)33-3)29-23-13-15-30(16-14-23)19-22-9-12-26(32-2)28(17-22)34-20-21-7-5-4-6-8-21/h4-12,17-18,23,29H,13-16,19-20H2,1-3H3
InChIKeyOCBZEKLSYADLJB-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.37
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine

N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 4222218) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
PubChem CID4222218
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(NC2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)c(OC)c1
InChIInChI=1S/C28H34N2O4/c1-31-24-10-11-25(27(18-24)33-3)29-23-13-15-30(16-14-23)19-22-9-12-26(32-2)28(17-22)34-20-21-7-5-4-6-8-21/h4-12,17-18,23,29H,13-16,19-20H2,1-3H3
InChIKeyOCBZEKLSYADLJB-UHFFFAOYSA-N
XLogP5.37
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4279477
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120913068
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine (CID 4222218) is N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine is COc1ccc(NC2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is OCBZEKLSYADLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-31-24-10-11-25(27(18-24)33-3)29-23-13-15-30(16-14-23)19-22-9-12-26(32-2)28(17-22)34-20-21-7-5-4-6-8-21/h4-12,17-18,23,29H,13-16,19-20H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 462.59 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 4222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).