2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol

C14H23N3O2 — CID 64792176

IUPAC2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(N2CCN(CC(N)CO)CC2)cc1
InChIInChI=1S/C14H23N3O2/c1-19-14-4-2-13(3-5-14)17-8-6-16(7-9-17)10-12(15)11-18/h2-5,12,18H,6-11,15H2,1H3
InChIKeyPRRNIEATVKUFKY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol

2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 64792176) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
PubChem CID64792176
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(N2CCN(CC(N)CO)CC2)cc1
InChIInChI=1S/C14H23N3O2/c1-19-14-4-2-13(3-5-14)17-8-6-16(7-9-17)10-12(15)11-18/h2-5,12,18H,6-11,15H2,1H3
InChIKeyPRRNIEATVKUFKY-UHFFFAOYSA-N
XLogP0.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
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-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65458650
(1S)-1-(1H-indol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 92701020
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
CID 114447501

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol (CID 64792176) is 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol is COc1ccc(N2CCN(CC(N)CO)CC2)cc1.
What is the InChIKey of 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is PRRNIEATVKUFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-14-4-2-13(3-5-14)17-8-6-16(7-9-17)10-12(15)11-18/h2-5,12,18H,6-11,15H2,1H3.
What are the key properties of 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol?
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64792176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).