N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C21H26N4 — CID 56919076

IUPACN-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccncc2)Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H26N4/c1-24-12-7-20(8-13-24)25(15-17-4-9-22-10-5-17)16-18-2-3-21-19(14-18)6-11-23-21/h2-6,9-11,14,20,23H,7-8,12-13,15-16H2,1H3
InChIKeyVHVGGBICEJEQDM-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.66
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 56919076) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID56919076
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC NameN-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccncc2)Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H26N4/c1-24-12-7-20(8-13-24)25(15-17-4-9-22-10-5-17)16-18-2-3-21-19(14-18)6-11-23-21/h2-6,9-11,14,20,23H,7-8,12-13,15-16H2,1H3
InChIKeyVHVGGBICEJEQDM-UHFFFAOYSA-N
XLogP3.66
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 56919076) is N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CN1CCC(N(Cc2ccncc2)Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is VHVGGBICEJEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-24-12-7-20(8-13-24)25(15-17-4-9-22-10-5-17)16-18-2-3-21-19(14-18)6-11-23-21/h2-6,9-11,14,20,23H,7-8,12-13,15-16H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56919076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).