5-[(2S)-1-methylpiperidin-2-yl]-1H-indole

C14H18N2 — CID 95732626

IUPAC5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
SMILESCN1CCCC[C@H]1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2/c1-16-9-3-2-4-14(16)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,14-15H,2-4,9H2,1H3/t14-/m0/s1
InChIKeyVSYKYXKEUNAWQZ-AWEZNQCLSA-N
MW214.31 g/mol
LogP3.32
Rot. Bonds1

About 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole

5-[(2S)-1-methylpiperidin-2-yl]-1H-indole (PubChem CID 95732626) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
PubChem CID95732626
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
SMILESCN1CCCC[C@H]1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2/c1-16-9-3-2-4-14(16)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,14-15H,2-4,9H2,1H3/t14-/m0/s1
InChIKeyVSYKYXKEUNAWQZ-AWEZNQCLSA-N
XLogP3.32
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole?
The IUPAC name of 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole (CID 95732626) is 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole.
What is the SMILES notation for 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole?
The canonical SMILES for 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole is CN1CCCC[C@H]1c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole?
The InChIKey is VSYKYXKEUNAWQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-9-3-2-4-14(16)12-5-6-13-11(10-12)7-8-15-13/h5-8,10,14-15H,2-4,9H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole?
5-[(2S)-1-methylpiperidin-2-yl]-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpiperidin-2-yl]-1H-indole is sourced from PubChem (CID 95732626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).