2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine

C16H23N3 — CID 106632947

IUPAC2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCCN3)c[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-7-16-15(6-1)13(11-19-16)8-10-17-12-14-5-3-4-9-18-14/h1-2,6-7,11,14,17-19H,3-5,8-10,12H2
InChIKeyGLRDMLSSCYWVQU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.44
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine

2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632947) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632947
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESc1ccc2c(CCNCC3CCCCN3)c[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-7-16-15(6-1)13(11-19-16)8-10-17-12-14-5-3-4-9-18-14/h1-2,6-7,11,14,17-19H,3-5,8-10,12H2
InChIKeyGLRDMLSSCYWVQU-UHFFFAOYSA-N
XLogP2.44
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 62065957
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106632947) is 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine is c1ccc2c(CCNCC3CCCCN3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is GLRDMLSSCYWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-7-16-15(6-1)13(11-19-16)8-10-17-12-14-5-3-4-9-18-14/h1-2,6-7,11,14,17-19H,3-5,8-10,12H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine?
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).