5-[(4-methylpiperidin-1-yl)methyl]-1H-indole

C15H20N2 — CID 90949338

IUPAC5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H20N2/c1-12-5-8-17(9-6-12)11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16H,5-6,8-9,11H2,1H3
InChIKeyNLUCEMASLRBGCM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.40
Rot. Bonds2

About 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole

5-[(4-methylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 90949338) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
PubChem CID90949338
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H20N2/c1-12-5-8-17(9-6-12)11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16H,5-6,8-9,11H2,1H3
InChIKeyNLUCEMASLRBGCM-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

5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
N-[(4S,5S)-5-hydroxy-1-(1H-indol-5-ylmethyl)azepan-4-yl]acetamide
CID 110126935
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 127252083
3-[(3S,4R)-1-(1H-indol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 133122529
1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 155249317
(1S,5R)-3-(1H-indol-5-ylmethyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70729444
(1E,6E)-1-(1H-indol-6-yl)-7-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]hepta-1,6-diene-3,5-dione
CID 126635765

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole (CID 90949338) is 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole is CC1CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is NLUCEMASLRBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-5-8-17(9-6-12)11-13-2-3-15-14(10-13)4-7-16-15/h2-4,7,10,12,16H,5-6,8-9,11H2,1H3.
What are the key properties of 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole?
5-[(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 5-[(4-methylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 90949338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).