N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

C17H25N3 — CID 63002106

IUPACN-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H25N3/c1-14-6-10-20(11-7-14)12-9-18-13-15-3-2-4-17-16(15)5-8-19-17/h2-5,8,14,18-19H,6-7,9-13H2,1H3
InChIKeyQSHUWGCIWYREGX-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 63002106) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID63002106
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H25N3/c1-14-6-10-20(11-7-14)12-9-18-13-15-3-2-4-17-16(15)5-8-19-17/h2-5,8,14,18-19H,6-7,9-13H2,1H3
InChIKeyQSHUWGCIWYREGX-UHFFFAOYSA-N
XLogP2.99
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 119128688
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
N-(1,3-benzodioxol-4-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43583711
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 63002106) is N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is QSHUWGCIWYREGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-6-10-20(11-7-14)12-9-18-13-15-3-2-4-17-16(15)5-8-19-17/h2-5,8,14,18-19H,6-7,9-13H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 63002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).