3-[(2-methylpiperidin-1-yl)methyl]-1H-indole

C15H20N2 — CID 29499

IUPAC3-[(2-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCCCN1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2/c1-12-6-4-5-9-17(12)11-13-10-16-15-8-3-2-7-14(13)15/h2-3,7-8,10,12,16H,4-6,9,11H2,1H3
InChIKeyYUGZVPKKTDKFMZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.54
Rot. Bonds2

About 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole

3-[(2-methylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 29499) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(2-methylpiperidin-1-yl)methyl]-1H-indole
PubChem CID29499
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(2-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCC1CCCCN1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2/c1-12-6-4-5-9-17(12)11-13-10-16-15-8-3-2-7-14(13)15/h2-3,7-8,10,12,16H,4-6,9,11H2,1H3
InChIKeyYUGZVPKKTDKFMZ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole (CID 29499) is 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole is CC1CCCCN1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is YUGZVPKKTDKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-4-5-9-17(12)11-13-10-16-15-8-3-2-7-14(13)15/h2-3,7-8,10,12,16H,4-6,9,11H2,1H3.
What are the key properties of 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole?
3-[(2-methylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 29499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).