3-piperidin-1-yl-1H-1,2-benzodiazepine

C14H17N3 — CID 68640460

IUPAC3-piperidin-1-yl-1H-1,2-benzodiazepine
SMILESC1=Cc2ccccc2NN=C1N1CCCCC1
InChIInChI=1S/C14H17N3/c1-4-10-17(11-5-1)14-9-8-12-6-2-3-7-13(12)15-16-14/h2-3,6-9,15H,1,4-5,10-11H2
InChIKeyLFTNYDKQZZQIRT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.92
Rot. Bonds

About 3-piperidin-1-yl-1H-1,2-benzodiazepine

3-piperidin-1-yl-1H-1,2-benzodiazepine (PubChem CID 68640460) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-1,2-benzodiazepine.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-1,2-benzodiazepine
PubChem CID68640460
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-piperidin-1-yl-1H-1,2-benzodiazepine
SMILESC1=Cc2ccccc2NN=C1N1CCCCC1
InChIInChI=1S/C14H17N3/c1-4-10-17(11-5-1)14-9-8-12-6-2-3-7-13(12)15-16-14/h2-3,6-9,15H,1,4-5,10-11H2
InChIKeyLFTNYDKQZZQIRT-UHFFFAOYSA-N
XLogP2.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2-benzodiazepine;diazepane
CID 66669180
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-phenylpiperidine;phosphenous acid
CID 174871848
1H-1,2-benzodiazepine;gold
CID 159730285
3-(azocan-1-yl)-1H-indazole
CID 178043244
1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
CID 50879631
ethane;methanol;1-phenylpiperidine
CID 177175072
1-(5-phenylpyrazin-2-yl)azepane
CID 166601448
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-1,2-benzodiazepine?
The IUPAC name of 3-piperidin-1-yl-1H-1,2-benzodiazepine (CID 68640460) is 3-piperidin-1-yl-1H-1,2-benzodiazepine.
What is the SMILES notation for 3-piperidin-1-yl-1H-1,2-benzodiazepine?
The canonical SMILES for 3-piperidin-1-yl-1H-1,2-benzodiazepine is C1=Cc2ccccc2NN=C1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-1H-1,2-benzodiazepine?
The InChIKey is LFTNYDKQZZQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-10-17(11-5-1)14-9-8-12-6-2-3-7-13(12)15-16-14/h2-3,6-9,15H,1,4-5,10-11H2.
What are the key properties of 3-piperidin-1-yl-1H-1,2-benzodiazepine?
3-piperidin-1-yl-1H-1,2-benzodiazepine has a molecular weight of 227.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-1,2-benzodiazepine is sourced from PubChem (CID 68640460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).