3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

C15H20N2 — CID 30438

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyDGCGMYNLCDVYMB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.40
Rot. Bonds2

About 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

3-[(4-methylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 30438) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
PubChem CID30438
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyDGCGMYNLCDVYMB-UHFFFAOYSA-N
XLogP3.40
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
Sumatriptan
CID 5358
N,N-Dimethyltryptamine
CID 6089
Pergolide
CID 47811
Lysergic acid amide
CID 442072
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Naratriptan
CID 4440

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole (CID 30438) is 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole is CC1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is DGCGMYNLCDVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3.
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
3-[(4-methylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 30438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).