2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole

C13H20N2 — CID 70205476

IUPAC2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole
SMILESC1=CC2CC(N3CCCCC3)NC2C=C1
InChIInChI=1S/C13H20N2/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)14-13/h2-3,6-7,11-14H,1,4-5,8-10H2
InChIKeyZAKMQVVZDHREFA-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.90
Rot. Bonds1

About 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole

2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole (PubChem CID 70205476) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole
PubChem CID70205476
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole
SMILESC1=CC2CC(N3CCCCC3)NC2C=C1
InChIInChI=1S/C13H20N2/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)14-13/h2-3,6-7,11-14H,1,4-5,8-10H2
InChIKeyZAKMQVVZDHREFA-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole?
The IUPAC name of 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole (CID 70205476) is 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole.
What is the SMILES notation for 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole?
The canonical SMILES for 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole is C1=CC2CC(N3CCCCC3)NC2C=C1.
What is the InChIKey of 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole?
The InChIKey is ZAKMQVVZDHREFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-8-15(9-5-1)13-10-11-6-2-3-7-12(11)14-13/h2-3,6-7,11-14H,1,4-5,8-10H2.
What are the key properties of 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole?
2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole has a molecular weight of 204.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2,3,3a,7a-tetrahydro-1H-indole is sourced from PubChem (CID 70205476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).