1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine

C20H26N2O2 — CID 39331813

IUPAC1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(N)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-8-7-17(14-22-11-9-18(21)10-12-22)20(13-19)24-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,21H2,1H3
InChIKeyLYIXZMYLBLYRAI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.20
Rot. Bonds6

About 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine

1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 39331813) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
PubChem CID39331813
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(N)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-8-7-17(14-22-11-9-18(21)10-12-22)20(13-19)24-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,21H2,1H3
InChIKeyLYIXZMYLBLYRAI-UHFFFAOYSA-N
XLogP3.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4222218
3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 77087033
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine (CID 39331813) is 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine is COc1ccc(CN2CCC(N)CC2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is LYIXZMYLBLYRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-8-7-17(14-22-11-9-18(21)10-12-22)20(13-19)24-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15,21H2,1H3.
What are the key properties of 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine?
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 39331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).