9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C15H23N3 — CID 69228382

IUPAC9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESCC1=CN=CCC2=C1NC(N1CCCCC1)CC2
InChIInChI=1S/C15H23N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h8,11,14,17H,2-7,9-10H2,1H3
InChIKeyQZNWJBYYJAUUKK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.81
Rot. Bonds1

About 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69228382) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69228382
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESCC1=CN=CCC2=C1NC(N1CCCCC1)CC2
InChIInChI=1S/C15H23N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h8,11,14,17H,2-7,9-10H2,1H3
InChIKeyQZNWJBYYJAUUKK-UHFFFAOYSA-N
XLogP2.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69228382) is 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is CC1=CN=CCC2=C1NC(N1CCCCC1)CC2.
What is the InChIKey of 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is QZNWJBYYJAUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h8,11,14,17H,2-7,9-10H2,1H3.
What are the key properties of 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 245.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-piperidin-1-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69228382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).