2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine

C17H26N4 — CID 117173772

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2c(N)cccc21
InChIInChI=1S/C17H26N4/c1-13(2)21-14(12-20-9-7-19(3)8-10-20)11-15-16(18)5-4-6-17(15)21/h4-6,11,13H,7-10,12,18H2,1-3H3
InChIKeyDVTZHHBEEBFRQV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.55
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine

2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine (PubChem CID 117173772) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
PubChem CID117173772
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
SMILESCC(C)n1c(CN2CCN(C)CC2)cc2c(N)cccc21
InChIInChI=1S/C17H26N4/c1-13(2)21-14(12-20-9-7-19(3)8-10-20)11-15-16(18)5-4-6-17(15)21/h4-6,11,13H,7-10,12,18H2,1-3H3
InChIKeyDVTZHHBEEBFRQV-UHFFFAOYSA-N
XLogP2.55
TPSA37.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117184903
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine (CID 117173772) is 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine is CC(C)n1c(CN2CCN(C)CC2)cc2c(N)cccc21.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine?
The InChIKey is DVTZHHBEEBFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)21-14(12-20-9-7-19(3)8-10-20)11-15-16(18)5-4-6-17(15)21/h4-6,11,13H,7-10,12,18H2,1-3H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine?
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine is sourced from PubChem (CID 117173772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).