(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine

C15H25N3 — CID 69025863

IUPAC(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
SMILESC[C@@H]1CNCCC2=C1NC(N1CCCCC1)C=C2
InChIInChI=1S/C15H25N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h5-6,12,14,16-17H,2-4,7-11H2,1H3/t12-,14?/m1/s1
InChIKeyYVPWLEWQOBPVSA-PUODRLBUSA-N
MW247.39 g/mol
LogP1.84
Rot. Bonds1

About (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine

(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69025863) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
PubChem CID69025863
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
SMILESC[C@@H]1CNCCC2=C1NC(N1CCCCC1)C=C2
InChIInChI=1S/C15H25N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h5-6,12,14,16-17H,2-4,7-11H2,1H3/t12-,14?/m1/s1
InChIKeyYVPWLEWQOBPVSA-PUODRLBUSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine (CID 69025863) is (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine is C[C@@H]1CNCCC2=C1NC(N1CCCCC1)C=C2.
What is the InChIKey of (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is YVPWLEWQOBPVSA-PUODRLBUSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-11-16-8-7-13-5-6-14(17-15(12)13)18-9-3-2-4-10-18/h5-6,12,14,16-17H,2-4,7-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine?
(9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 247.39 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-methyl-2-piperidin-1-yl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69025863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).