3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine

C21H29N3O2 — CID 21473441

IUPAC3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1cc(OCc2ccccc2)ccc1N1CCN(CCCN)CC1
InChIInChI=1S/C21H29N3O2/c1-25-21-16-19(26-17-18-6-3-2-4-7-18)8-9-20(21)24-14-12-23(13-15-24)11-5-10-22/h2-4,6-9,16H,5,10-15,17,22H2,1H3
InChIKeyVYFGEXAQWKUXOG-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.74
Rot. Bonds8

About 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine

3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine (PubChem CID 21473441) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
PubChem CID21473441
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
SMILESCOc1cc(OCc2ccccc2)ccc1N1CCN(CCCN)CC1
InChIInChI=1S/C21H29N3O2/c1-25-21-16-19(26-17-18-6-3-2-4-7-18)8-9-20(21)24-14-12-23(13-15-24)11-5-10-22/h2-4,6-9,16H,5,10-15,17,22H2,1H3
InChIKeyVYFGEXAQWKUXOG-UHFFFAOYSA-N
XLogP2.74
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
CID 23111462
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
CID 123516675
CID 123516675
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine (CID 21473441) is 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine is COc1cc(OCc2ccccc2)ccc1N1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is VYFGEXAQWKUXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-25-21-16-19(26-17-18-6-3-2-4-7-18)8-9-20(21)24-14-12-23(13-15-24)11-5-10-22/h2-4,6-9,16H,5,10-15,17,22H2,1H3.
What are the key properties of 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 355.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 21473441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).