3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole

C20H22ClN3O — CID 69350318

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H22ClN3O/c1-25-18-6-7-20-19(12-18)15(13-22-20)14-23-8-10-24(11-9-23)17-4-2-16(21)3-5-17/h2-7,12-13,22H,8-11,14H2,1H3
InChIKeyDXBSYQWECQSQQZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.15
Rot. Bonds4

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole (PubChem CID 69350318) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
PubChem CID69350318
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H22ClN3O/c1-25-18-6-7-20-19(12-18)15(13-22-20)14-23-8-10-24(11-9-23)17-4-2-16(21)3-5-17/h2-7,12-13,22H,8-11,14H2,1H3
InChIKeyDXBSYQWECQSQQZ-UHFFFAOYSA-N
XLogP4.15
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine
CID 69350602
1-(4-chlorophenyl)-4-[(2-methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperazine
CID 16749249
5-chloro-3-[4-[4-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]piperazin-1-yl]butyl]-1H-indole
CID 118499189
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
CID 19438866
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 11957618
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole (CID 69350318) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is DXBSYQWECQSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-18-6-7-20-19(12-18)15(13-22-20)14-23-8-10-24(11-9-23)17-4-2-16(21)3-5-17/h2-7,12-13,22H,8-11,14H2,1H3.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 355.87 g/mol, XLogP of 4.15, 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]-5-methoxy-1H-indole is sourced from PubChem (CID 69350318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).