spiro[1-benzazepine-4,3'-piperidine]

C14H16N2 — CID 67456382

IUPACspiro[1-benzazepine-4,3'-piperidine]
SMILESC1=CC2(C=c3ccccc3=N1)CCCNC2
InChIInChI=1S/C14H16N2/c1-2-5-13-12(4-1)10-14(7-9-16-13)6-3-8-15-11-14/h1-2,4-5,7,9-10,15H,3,6,8,11H2
InChIKeyLHDDSGCPSAWHQM-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.98
Rot. Bonds

About spiro[1-benzazepine-4,3'-piperidine]

spiro[1-benzazepine-4,3'-piperidine] (PubChem CID 67456382) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is spiro[1-benzazepine-4,3'-piperidine].

Molecular Properties

Compound Namespiro[1-benzazepine-4,3'-piperidine]
PubChem CID67456382
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Namespiro[1-benzazepine-4,3'-piperidine]
SMILESC1=CC2(C=c3ccccc3=N1)CCCNC2
InChIInChI=1S/C14H16N2/c1-2-5-13-12(4-1)10-14(7-9-16-13)6-3-8-15-11-14/h1-2,4-5,7,9-10,15H,3,6,8,11H2
InChIKeyLHDDSGCPSAWHQM-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1-benzazepine-4,3'-piperidine]?
The IUPAC name of spiro[1-benzazepine-4,3'-piperidine] (CID 67456382) is spiro[1-benzazepine-4,3'-piperidine].
What is the SMILES notation for spiro[1-benzazepine-4,3'-piperidine]?
The canonical SMILES for spiro[1-benzazepine-4,3'-piperidine] is C1=CC2(C=c3ccccc3=N1)CCCNC2.
What is the InChIKey of spiro[1-benzazepine-4,3'-piperidine]?
The InChIKey is LHDDSGCPSAWHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-5-13-12(4-1)10-14(7-9-16-13)6-3-8-15-11-14/h1-2,4-5,7,9-10,15H,3,6,8,11H2.
What are the key properties of spiro[1-benzazepine-4,3'-piperidine]?
spiro[1-benzazepine-4,3'-piperidine] has a molecular weight of 212.30 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-benzazepine-4,3'-piperidine] is sourced from PubChem (CID 67456382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).