1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine

C23H29N3 — CID 118729057

IUPAC1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2
InChIKeyWTLUCPJUIZKXNV-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.29
Rot. Bonds7

About 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine

1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine (PubChem CID 118729057) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine
PubChem CID118729057
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2
InChIKeyWTLUCPJUIZKXNV-UHFFFAOYSA-N
XLogP4.29
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine (CID 118729057) is 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine is c1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine?
The InChIKey is WTLUCPJUIZKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2.
What are the key properties of 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine?
1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine has a molecular weight of 347.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-indol-1-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 118729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).