4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine

C15H17N — CID 20814148

IUPAC4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(CC2=CCc3ccccc32)CCNC1
InChIInChI=1S/C15H17N/c1-2-4-15-13(3-1)5-6-14(15)11-12-7-9-16-10-8-12/h1-4,6-7,16H,5,8-11H2
InChIKeyZMNSGJYWAUZPIF-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.94
Rot. Bonds2

About 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine

4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 20814148) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine
PubChem CID20814148
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(CC2=CCc3ccccc32)CCNC1
InChIInChI=1S/C15H17N/c1-2-4-15-13(3-1)5-6-14(15)11-12-7-9-16-10-8-12/h1-4,6-7,16H,5,8-11H2
InChIKeyZMNSGJYWAUZPIF-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 4543
CID 4543
CID 4976
CID 4976
CID 7046
CID 7046
CID 6603149
CID 6603149
CID 11503
CID 11503
CID 65055
CID 65055
CID 31738
CID 31738
CID 9982
CID 9982
CID 16622
CID 16622
CID 22276
CID 22276
CID 88278
CID 88278
CID 82553
CID 82553

Frequently Asked Questions

What is the IUPAC name of 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine (CID 20814148) is 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine is C1=C(CC2=CCc3ccccc32)CCNC1.
What is the InChIKey of 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ZMNSGJYWAUZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-4-15-13(3-1)5-6-14(15)11-12-7-9-16-10-8-12/h1-4,6-7,16H,5,8-11H2.
What are the key properties of 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine?
4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 211.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-inden-1-ylmethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 20814148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).