N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine

C21H32N4 — CID 143927617

IUPACN-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
SMILESCCN(C1CCN(C)CC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H32N4/c1-3-25(18-10-12-23(2)13-11-18)24-14-8-17(9-15-24)20-16-22-21-7-5-4-6-19(20)21/h4-7,16-18,22H,3,8-15H2,1-2H3
InChIKeyRNFVFULXIAXZQW-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.68
Rot. Bonds4

About N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine

N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine (PubChem CID 143927617) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
PubChem CID143927617
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC NameN-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
SMILESCCN(C1CCN(C)CC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H32N4/c1-3-25(18-10-12-23(2)13-11-18)24-14-8-17(9-15-24)20-16-22-21-7-5-4-6-19(20)21/h4-7,16-18,22H,3,8-15H2,1-2H3
InChIKeyRNFVFULXIAXZQW-UHFFFAOYSA-N
XLogP3.68
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
N-ethyl-2-hydroxy-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]propanamide
CID 156552189
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine?
The IUPAC name of N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine (CID 143927617) is N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine.
What is the SMILES notation for N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine?
The canonical SMILES for N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine is CCN(C1CCN(C)CC1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine?
The InChIKey is RNFVFULXIAXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-3-25(18-10-12-23(2)13-11-18)24-14-8-17(9-15-24)20-16-22-21-7-5-4-6-19(20)21/h4-7,16-18,22H,3,8-15H2,1-2H3.
What are the key properties of N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine?
N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine has a molecular weight of 340.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine is sourced from PubChem (CID 143927617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).