N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine

C17H25N3 — CID 28716039

IUPACN-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c1-19-12-8-16(9-13-19)18-10-4-11-20-14-7-15-5-2-3-6-17(15)20/h2-3,5-7,14,16,18H,4,8-13H2,1H3
InChIKeyNGYBVERGKCMXST-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.72
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine

N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine (PubChem CID 28716039) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
PubChem CID28716039
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c1-19-12-8-16(9-13-19)18-10-4-11-20-14-7-15-5-2-3-6-17(15)20/h2-3,5-7,14,16,18H,4,8-13H2,1H3
InChIKeyNGYBVERGKCMXST-UHFFFAOYSA-N
XLogP2.72
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
CID 43078302
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-(3-indol-1-ylpropyl)-1,1-dioxothian-3-amine
CID 63910668
N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82823981
1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729062
N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine
CID 102671461
1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729064
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
formic acid;5-(3-indol-1-ylpropylamino)azepan-2-one
CID 154913019

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine (CID 28716039) is N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine is CN1CCC(NCCCn2ccc3ccccc32)CC1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine?
The InChIKey is NGYBVERGKCMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-19-12-8-16(9-13-19)18-10-4-11-20-14-7-15-5-2-3-6-17(15)20/h2-3,5-7,14,16,18H,4,8-13H2,1H3.
What are the key properties of N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine?
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 28716039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).