spiro[1-benzazepine-4,2'-piperidine]

C14H16N2 — CID 67456831

IUPACspiro[1-benzazepine-4,2'-piperidine]
SMILESC1=CC2(C=c3ccccc3=N1)CCCCN2
InChIInChI=1S/C14H16N2/c1-2-6-13-12(5-1)11-14(8-10-15-13)7-3-4-9-16-14/h1-2,5-6,8,10-11,16H,3-4,7,9H2
InChIKeyDRYSTTGZJVBEAU-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.13
Rot. Bonds

About spiro[1-benzazepine-4,2'-piperidine]

spiro[1-benzazepine-4,2'-piperidine] (PubChem CID 67456831) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is spiro[1-benzazepine-4,2'-piperidine].

Molecular Properties

Compound Namespiro[1-benzazepine-4,2'-piperidine]
PubChem CID67456831
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Namespiro[1-benzazepine-4,2'-piperidine]
SMILESC1=CC2(C=c3ccccc3=N1)CCCCN2
InChIInChI=1S/C14H16N2/c1-2-6-13-12(5-1)11-14(8-10-15-13)7-3-4-9-16-14/h1-2,5-6,8,10-11,16H,3-4,7,9H2
InChIKeyDRYSTTGZJVBEAU-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1-benzazepine-4,2'-piperidine]?
The IUPAC name of spiro[1-benzazepine-4,2'-piperidine] (CID 67456831) is spiro[1-benzazepine-4,2'-piperidine].
What is the SMILES notation for spiro[1-benzazepine-4,2'-piperidine]?
The canonical SMILES for spiro[1-benzazepine-4,2'-piperidine] is C1=CC2(C=c3ccccc3=N1)CCCCN2.
What is the InChIKey of spiro[1-benzazepine-4,2'-piperidine]?
The InChIKey is DRYSTTGZJVBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-13-12(5-1)11-14(8-10-15-13)7-3-4-9-16-14/h1-2,5-6,8,10-11,16H,3-4,7,9H2.
What are the key properties of spiro[1-benzazepine-4,2'-piperidine]?
spiro[1-benzazepine-4,2'-piperidine] has a molecular weight of 212.30 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-benzazepine-4,2'-piperidine] is sourced from PubChem (CID 67456831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).