7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole

C13H18N2 — CID 97056641

IUPAC7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c([C@@H]3CCCNC3)c1)NCC2
InChIInChI=1S/C13H18N2/c1-3-10-6-8-15-13(10)12(5-1)11-4-2-7-14-9-11/h1,3,5,11,14-15H,2,4,6-9H2/t11-/m1/s1
InChIKeyBEXHRKJDIXZZOS-LLVKDONJSA-N
MW202.30 g/mol
LogP2.12
Rot. Bonds1

About 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole

7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole (PubChem CID 97056641) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole
PubChem CID97056641
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c([C@@H]3CCCNC3)c1)NCC2
InChIInChI=1S/C13H18N2/c1-3-10-6-8-15-13(10)12(5-1)11-4-2-7-14-9-11/h1,3,5,11,14-15H,2,4,6-9H2/t11-/m1/s1
InChIKeyBEXHRKJDIXZZOS-LLVKDONJSA-N
XLogP2.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole (CID 97056641) is 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole is c1cc2c(c([C@@H]3CCCNC3)c1)NCC2.
What is the InChIKey of 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole?
The InChIKey is BEXHRKJDIXZZOS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10-6-8-15-13(10)12(5-1)11-4-2-7-14-9-11/h1,3,5,11,14-15H,2,4,6-9H2/t11-/m1/s1.
What are the key properties of 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole?
7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole has a molecular weight of 202.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 97056641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).