N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine

C27H36N4 — CID 71660141

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3cc[nH]c3cc2C1
InChIInChI=1S/C27H36N4/c1-2-12-30(16-13-29-14-17-31(18-15-29)25-6-4-3-5-7-25)26-9-8-22-19-23-10-11-28-27(23)21-24(22)20-26/h3-7,10-11,19,21,26,28H,2,8-9,12-18,20H2,1H3
InChIKeyOSLJBLWZZFAUQZ-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.56
Rot. Bonds7

About N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine

N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine (PubChem CID 71660141) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
PubChem CID71660141
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3cc[nH]c3cc2C1
InChIInChI=1S/C27H36N4/c1-2-12-30(16-13-29-14-17-31(18-15-29)25-6-4-3-5-7-25)26-9-8-22-19-23-10-11-28-27(23)21-24(22)20-26/h3-7,10-11,19,21,26,28H,2,8-9,12-18,20H2,1H3
InChIKeyOSLJBLWZZFAUQZ-UHFFFAOYSA-N
XLogP4.56
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine (CID 71660141) is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine is CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3cc[nH]c3cc2C1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine?
The InChIKey is OSLJBLWZZFAUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4/c1-2-12-30(16-13-29-14-17-31(18-15-29)25-6-4-3-5-7-25)26-9-8-22-19-23-10-11-28-27(23)21-24(22)20-26/h3-7,10-11,19,21,26,28H,2,8-9,12-18,20H2,1H3.
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine?
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine has a molecular weight of 416.61 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-5,6,7,8-tetrahydro-1H-benzo[f]indol-7-amine is sourced from PubChem (CID 71660141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).