2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen

C18H29N3 — CID 178164940

IUPAC2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen
SMILESCc1cc2ccc(N3CCN(CCC(C)C)CC3)cc2[nH]1.[H][H]
InChIInChI=1S/C18H27N3.H2/c1-14(2)6-7-20-8-10-21(11-9-20)17-5-4-16-12-15(3)19-18(16)13-17;/h4-5,12-14,19H,6-11H2,1-3H3;1H
InChIKeyNBFZMBBJVNSBEL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen

2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen (PubChem CID 178164940) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen
PubChem CID178164940
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen
SMILESCc1cc2ccc(N3CCN(CCC(C)C)CC3)cc2[nH]1.[H][H]
InChIInChI=1S/C18H27N3.H2/c1-14(2)6-7-20-8-10-21(11-9-20)17-5-4-16-12-15(3)19-18(16)13-17;/h4-5,12-14,19H,6-11H2,1-3H3;1H
InChIKeyNBFZMBBJVNSBEL-UHFFFAOYSA-N
XLogP3.89
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 54528949
1-(2-ethyl-1-benzothiophen-6-yl)-4-(3-methylbutyl)piperazine
CID 176934894
ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
CID 176934415
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine
CID 95867470
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
methyl 6-[4-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]-1H-indole-2-carboxylate
CID 151416469
1-(1H-imidazol-5-yl)-4-(3-methylbutyl)piperazine
CID 176935059
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen?
The IUPAC name of 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen (CID 178164940) is 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen.
What is the SMILES notation for 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen?
The canonical SMILES for 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen is Cc1cc2ccc(N3CCN(CCC(C)C)CC3)cc2[nH]1.[H][H].
What is the InChIKey of 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen?
The InChIKey is NBFZMBBJVNSBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3.H2/c1-14(2)6-7-20-8-10-21(11-9-20)17-5-4-16-12-15(3)19-18(16)13-17;/h4-5,12-14,19H,6-11H2,1-3H3;1H.
What are the key properties of 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen?
2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen has a molecular weight of 287.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen is sourced from PubChem (CID 178164940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).