3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline

C30H36N4O — CID 10298788

IUPAC3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccccc2N2CCN(CCCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C30H36N4O/c1-32(2)25-11-9-12-26(22-25)35-30-16-6-5-15-29(30)34-20-18-33(19-21-34)17-8-7-10-24-23-31-28-14-4-3-13-27(24)28/h3-6,9,11-16,22-23,31H,7-8,10,17-21H2,1-2H3
InChIKeyBCRYPVTXFYJJFK-UHFFFAOYSA-N
MW468.65 g/mol
LogP6.17
Rot. Bonds9

About 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline

3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline (PubChem CID 10298788) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
PubChem CID10298788
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2ccccc2N2CCN(CCCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C30H36N4O/c1-32(2)25-11-9-12-26(22-25)35-30-16-6-5-15-29(30)34-20-18-33(19-21-34)17-8-7-10-24-23-31-28-14-4-3-13-27(24)28/h3-6,9,11-16,22-23,31H,7-8,10,17-21H2,1-2H3
InChIKeyBCRYPVTXFYJJFK-UHFFFAOYSA-N
XLogP6.17
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10276872
5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
CID 10143502
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 174547931
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 71813992

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline (CID 10298788) is 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2ccccc2N2CCN(CCCCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
The InChIKey is BCRYPVTXFYJJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-32(2)25-11-9-12-26(22-25)35-30-16-6-5-15-29(30)34-20-18-33(19-21-34)17-8-7-10-24-23-31-28-14-4-3-13-27(24)28/h3-6,9,11-16,22-23,31H,7-8,10,17-21H2,1-2H3.
What are the key properties of 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline?
3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline has a molecular weight of 468.65 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 10298788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).