2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C14H26N2 — CID 43199753

IUPAC2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC1CCN(CC2CC3CCCCC3N2)CC1
InChIInChI=1S/C14H26N2/c1-4-8-16(9-5-1)11-13-10-12-6-2-3-7-14(12)15-13/h12-15H,1-11H2
InChIKeyYLWCWEKJRCGIJE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 43199753) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID43199753
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC1CCN(CC2CC3CCCCC3N2)CC1
InChIInChI=1S/C14H26N2/c1-4-8-16(9-5-1)11-13-10-12-6-2-3-7-14(12)15-13/h12-15H,1-11H2
InChIKeyYLWCWEKJRCGIJE-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 43199753) is 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is C1CCN(CC2CC3CCCCC3N2)CC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is YLWCWEKJRCGIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-8-16(9-5-1)11-13-10-12-6-2-3-7-14(12)15-13/h12-15H,1-11H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 222.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 43199753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).