N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine

C21H25ClN4 — CID 142579692

IUPACN-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(CNCCc2c[nH]c3ccccc23)c(N2CCCCC2)n1
InChIInChI=1S/C21H25ClN4/c22-20-9-8-17(21(25-20)26-12-4-1-5-13-26)14-23-11-10-16-15-24-19-7-3-2-6-18(16)19/h2-3,6-9,15,23-24H,1,4-5,10-14H2
InChIKeyXAYDVTIHFQNJEL-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.54
Rot. Bonds6

About N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine

N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 142579692) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID142579692
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC NameN-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine
SMILESClc1ccc(CNCCc2c[nH]c3ccccc23)c(N2CCCCC2)n1
InChIInChI=1S/C21H25ClN4/c22-20-9-8-17(21(25-20)26-12-4-1-5-13-26)14-23-11-10-16-15-24-19-7-3-2-6-18(16)19/h2-3,6-9,15,23-24H,1,4-5,10-14H2
InChIKeyXAYDVTIHFQNJEL-UHFFFAOYSA-N
XLogP4.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
5-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 112955841
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 110652136
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124895316

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine (CID 142579692) is N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine is Clc1ccc(CNCCc2c[nH]c3ccccc23)c(N2CCCCC2)n1.
What is the InChIKey of N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is XAYDVTIHFQNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c22-20-9-8-17(21(25-20)26-12-4-1-5-13-26)14-23-11-10-16-15-24-19-7-3-2-6-18(16)19/h2-3,6-9,15,23-24H,1,4-5,10-14H2.
What are the key properties of N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine?
N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 368.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-piperidin-1-yl-3-pyridinyl)methyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 142579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).