(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

C29H33N3O2 — CID 1180094

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H33N3O2/c1-34-27-13-11-24(12-14-27)29-19-25-9-5-6-10-28(25)32(29)22-26(33)21-31-17-15-30(16-18-31)20-23-7-3-2-4-8-23/h2-14,19,26,33H,15-18,20-22H2,1H3/t26-/m1/s1
InChIKeyDWZNXBNNLICOJR-AREMUKBSSA-N
MW455.60 g/mol
LogP4.50
Rot. Bonds8

About (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (PubChem CID 1180094) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
PubChem CID1180094
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H33N3O2/c1-34-27-13-11-24(12-14-27)29-19-25-9-5-6-10-28(25)32(29)22-26(33)21-31-17-15-30(16-18-31)20-23-7-3-2-4-8-23/h2-14,19,26,33H,15-18,20-22H2,1H3/t26-/m1/s1
InChIKeyDWZNXBNNLICOJR-AREMUKBSSA-N
XLogP4.50
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 7064426
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51465176
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
(2S)-1-(2,4-dimethylanilino)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51396677
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
1-(4-benzylpiperazin-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 4117492

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (CID 1180094) is (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The InChIKey is DWZNXBNNLICOJR-AREMUKBSSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-34-27-13-11-24(12-14-27)29-19-25-9-5-6-10-28(25)32(29)22-26(33)21-31-17-15-30(16-18-31)20-23-7-3-2-4-8-23/h2-14,19,26,33H,15-18,20-22H2,1H3/t26-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol has a molecular weight of 455.60 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 1180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).