3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine

C21H25ClN4 — CID 69350602

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine
SMILESCN(C)c1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C21H25ClN4/c1-24(2)19-7-8-20-16(14-23-21(20)13-19)15-25-9-11-26(12-10-25)18-5-3-17(22)4-6-18/h3-8,13-14,23H,9-12,15H2,1-2H3
InChIKeySNUWRIIDFMCKSQ-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.21
Rot. Bonds4

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine (PubChem CID 69350602) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine
PubChem CID69350602
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine
SMILESCN(C)c1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C21H25ClN4/c1-24(2)19-7-8-20-16(14-23-21(20)13-19)15-25-9-11-26(12-10-25)18-5-3-17(22)4-6-18/h3-8,13-14,23H,9-12,15H2,1-2H3
InChIKeySNUWRIIDFMCKSQ-UHFFFAOYSA-N
XLogP4.21
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
CID 69350318
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 11957618
N,N-dimethyl-1-[(6-thiomorpholin-4-yl-1H-indol-3-yl)methyl]pyrrolidin-3-amine
CID 67321453
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
3-(piperidin-1-ylmethyl)-1H-indol-6-ol
CID 84693698
4-[4-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]phenol
CID 171674401
4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394294
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine
CID 150773362
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
ethane;4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394293
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine (CID 69350602) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine is CN(C)c1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine?
The InChIKey is SNUWRIIDFMCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-24(2)19-7-8-20-16(14-23-21(20)13-19)15-25-9-11-26(12-10-25)18-5-3-17(22)4-6-18/h3-8,13-14,23H,9-12,15H2,1-2H3.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine has a molecular weight of 368.91 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine is sourced from PubChem (CID 69350602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).