1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine

C22H30N4S — CID 68630809

IUPAC1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine
SMILESCN(C)C1(c2cccs2)CCN(CCNCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H30N4S/c1-25(2)22(21-8-5-15-27-21)9-12-26(13-10-22)14-11-23-16-18-17-24-20-7-4-3-6-19(18)20/h3-8,15,17,23-24H,9-14,16H2,1-2H3
InChIKeyBPRZKJJPHKRYFH-UHFFFAOYSA-N
MW382.58 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine

1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine (PubChem CID 68630809) has the molecular formula C22H30N4S and a molecular weight of 382.58 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine
PubChem CID68630809
Molecular FormulaC22H30N4S
Molecular Weight382.58 g/mol
Exact Mass382.22
IUPAC Name1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine
SMILESCN(C)C1(c2cccs2)CCN(CCNCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H30N4S/c1-25(2)22(21-8-5-15-27-21)9-12-26(13-10-22)14-11-23-16-18-17-24-20-7-4-3-6-19(18)20/h3-8,15,17,23-24H,9-14,16H2,1-2H3
InChIKeyBPRZKJJPHKRYFH-UHFFFAOYSA-N
XLogP3.87
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[1H-indol-3-ylmethyl(methyl)amino]ethyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 68632050
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine?
The IUPAC name of 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine (CID 68630809) is 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine is CN(C)C1(c2cccs2)CCN(CCNCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine?
The InChIKey is BPRZKJJPHKRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4S/c1-25(2)22(21-8-5-15-27-21)9-12-26(13-10-22)14-11-23-16-18-17-24-20-7-4-3-6-19(18)20/h3-8,15,17,23-24H,9-14,16H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine?
1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine has a molecular weight of 382.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-ylmethylamino)ethyl]-N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine is sourced from PubChem (CID 68630809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).