8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole

C17H22N2O — CID 117429365

IUPAC8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1CC1CCNCC1)COCC3
InChIInChI=1S/C17H22N2O/c1-2-16-14(15-11-20-8-5-17(15)19-16)10-13(1)9-12-3-6-18-7-4-12/h1-2,10,12,18-19H,3-9,11H2
InChIKeyDYAQHFUGMVHGTJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.78
Rot. Bonds2

About 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole

8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole (PubChem CID 117429365) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole.

Molecular Properties

Compound Name8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
PubChem CID117429365
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1CC1CCNCC1)COCC3
InChIInChI=1S/C17H22N2O/c1-2-16-14(15-11-20-8-5-17(15)19-16)10-13(1)9-12-3-6-18-7-4-12/h1-2,10,12,18-19H,3-9,11H2
InChIKeyDYAQHFUGMVHGTJ-UHFFFAOYSA-N
XLogP2.78
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The IUPAC name of 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole (CID 117429365) is 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole.
What is the SMILES notation for 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The canonical SMILES for 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole is c1cc2[nH]c3c(c2cc1CC1CCNCC1)COCC3.
What is the InChIKey of 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The InChIKey is DYAQHFUGMVHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-16-14(15-11-20-8-5-17(15)19-16)10-13(1)9-12-3-6-18-7-4-12/h1-2,10,12,18-19H,3-9,11H2.
What are the key properties of 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole?
8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole has a molecular weight of 270.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole is sourced from PubChem (CID 117429365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).